A3863/0164096
TL;DR: A3863/0164096 (CAS 578745-84-3) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: A3863/0164096, 4-(1,3-benzodioxol-5-yl)-1-cycloheptyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(1,3-benzodioxol-5-yl)-1-cycloheptyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one, 4-(2H-1,3-BENZODIOXOL-5-YL)-1-CYCLOHEPTYL-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.5751 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 958.84576 |
Chemical Identifiers
| CAS Number | 578745-84-3 |
|---|---|
| SMILES | C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N2 |
Product Overview
A3863/0164096 (CAS 578745-84-3), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of A3863/0164096
Property Insights of A3863/0164096
The XLogP value of 3.5751 indicates that A3863/0164096 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 A3863/0164096. Following Lipinski's Rule of Five, A3863/0164096 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 A3863/0164096?
The CAS number of A3863/0164096 is 578745-84-3.
What is the molecular formula of A3863/0164096?
The molecular formula of A3863/0164096 is C20H23N3O4S.
What is the molecular weight of A3863/0164096?
The molecular weight of A3863/0164096 is 401.14 g/mol.
Where can I buy A3863/0164096?
You can request a quote for A3863/0164096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3863/0164096?
Yes, KEHONG BIO provides custom synthesis services for A3863/0164096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.