![tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate structure](/static/products/7231/7231-24-5.webp)
tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate
TL;DR: tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate (CAS 7231-24-5) is a chemical compound with molecular formula C34H44N4O8S2 and molecular weight 700.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate
Also Known As: tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate, Di-tert-butyl 4,4'-(ethene-1,2-diyl)bis(7-benzyl-1,1-dioxo-1,3,6,7-tetrahydro-2H-1lambda~6~,2,7-thiadiazepine-2-carboxylate), TERT-BUTYL 7-BENZYL-4-[2-(7-BENZYL-1,1-DIOXO-2-BOC-3,6-DIHYDRO-1,2,7-THIADIAZEPIN-4-YL)VINYL]-1,1-DIOXO-3,6-DIHYDRO-1,2,7-THIADIAZEPINE-2-CARBOXYLATE
| Molecular Formula | C34H44N4O8S2 |
|---|---|
| Molecular Weight | 700.26 g/mol |
| LogP | 5.3908 |
| Topological Polar Surface Area | 133.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 700.2601 |
| Heavy Atoms | 48 |
| Complexity | 1645.5647 |
Chemical Identifiers
| CAS Number | 7231-24-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC(=CCN(S1(=O)=O)CC2=CC=CC=C2)C=CC3=CCN(S(=O)(=O)N(C3)C(=O)OC(C)(C)C)CC4=CC=CC=C4 |
Product Overview
tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate (CAS 7231-24-5), with molecular formula C34H44N4O8S2 and molecular weight 700.26 g/mol. IUPAC: tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate.
Chemical Property Profile of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate
Property Insights of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate
The XLogP value of 5.3908 indicates that tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.84 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate. Following Lipinski's Rule of Five, tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate?
The CAS number of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate is 7231-24-5.
What is the molecular formula of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate?
The molecular formula of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate is C34H44N4O8S2.
What is the molecular weight of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate?
The molecular weight of tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate is 700.26 g/mol.
Where can I buy tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate?
You can request a quote for tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 7-benzyl-4-[2-[7-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-4-yl]ethenyl]-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.