ChemDiv1_006177
TL;DR: ChemDiv1_006177 (CAS 351159-97-2) is a chemical compound with molecular formula C19H19N3O2S2 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_006177, BAS 02287483, AE-848/15341013, 2-[(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, 2-[(3-Oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide
| Molecular Formula | C19H19N3O2S2 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 3.2935 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.09186 |
| Heavy Atoms | 26 |
| Complexity | 1024.6805 |
Chemical Identifiers
| CAS Number | 351159-97-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)C4=CC=CC=C4 |
Product Overview
ChemDiv1_006177 (CAS 351159-97-2), with molecular formula C19H19N3O2S2 and molecular weight 385.09 g/mol. IUPAC: 2-[(3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_006177
Property Insights of ChemDiv1_006177
The XLogP value of 3.2935 indicates that ChemDiv1_006177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006177. Following Lipinski's Rule of Five, ChemDiv1_006177 has 1 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 ChemDiv1_006177?
The CAS number of ChemDiv1_006177 is 351159-97-2.
What is the molecular formula of ChemDiv1_006177?
The molecular formula of ChemDiv1_006177 is C19H19N3O2S2.
What is the molecular weight of ChemDiv1_006177?
The molecular weight of ChemDiv1_006177 is 385.09 g/mol.
Where can I buy ChemDiv1_006177?
You can request a quote for ChemDiv1_006177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006177?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.