![methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate structure](/static/products/5779/577962-39-1.webp)
methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
TL;DR: methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate (CAS 577962-39-1) is a chemical compound with molecular formula C26H29N3O3S and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-(ethylcarbamothioyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate
Also Known As: methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-[10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate, methyl 4-(10-(ethylcarbamothioyl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate, methyl 4-[5-(ethylcarbamothioyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate, METHYL 4-{10-[(ETHYLAMINO)CARBOTHIOYL]-3,3-DIMETHYL-1-OXO-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-11-YL}BENZOATE
| Molecular Formula | C26H29N3O3S |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 4.984 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.19296 |
| Heavy Atoms | 33 |
| Complexity | 1137.7261 |
Chemical Identifiers
| CAS Number | 577962-39-1 |
|---|---|
| SMILES | CCNC(=S)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate (CAS 577962-39-1), with molecular formula C26H29N3O3S and molecular weight 463.19 g/mol. IUPAC: methyl 4-[5-(ethylcarbamothioyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl]benzoate.
Chemical Property Profile of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Property Insights of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
The XLogP value of 4.984 indicates that methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The CAS number of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is 577962-39-1.
What is the molecular formula of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The molecular formula of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is C26H29N3O3S.
What is the molecular weight of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
The molecular weight of methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate is 463.19 g/mol.
Where can I buy methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
You can request a quote for methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[10-(ethylcarbamothioyl)-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.