A3863/0164099
TL;DR: A3863/0164099 (CAS 585561-75-7) is a chemical compound with molecular formula C26H29N3O4S and molecular weight 479.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethyloxan-4-yl)-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3863/0164099, 1-(2,2-dimethyloxan-4-yl)-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-(benzyloxy)phenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-(BENZYLOXY)PHENYL]-1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C26H29N3O4S |
|---|---|
| Molecular Weight | 479.19 g/mol |
| LogP | 4.6602 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.18787 |
| Heavy Atoms | 34 |
| Complexity | 1217.0928 |
Chemical Identifiers
| CAS Number | 585561-75-7 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2)C |
Product Overview
A3863/0164099 (CAS 585561-75-7), with molecular formula C26H29N3O4S and molecular weight 479.19 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3863/0164099
Property Insights of A3863/0164099
The XLogP value of 4.6602 indicates that A3863/0164099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3863/0164099. Following Lipinski's Rule of Five, A3863/0164099 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 A3863/0164099?
The CAS number of A3863/0164099 is 585561-75-7.
What is the molecular formula of A3863/0164099?
The molecular formula of A3863/0164099 is C26H29N3O4S.
What is the molecular weight of A3863/0164099?
The molecular weight of A3863/0164099 is 479.19 g/mol.
Where can I buy A3863/0164099?
You can request a quote for A3863/0164099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3863/0164099?
Yes, KEHONG BIO provides custom synthesis services for A3863/0164099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.