ChemDiv1_008993
TL;DR: ChemDiv1_008993 (CAS 315710-47-5) is a chemical compound with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: ChemDiv1_008993, UPCMLD0ENAT5889628:001, AF-399/15335094, 2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}-N-(2-phenylethyl)acetamide, F0915-6487
| Molecular Formula | C22H23N3O2S2 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 3.5837 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.12317 |
| Heavy Atoms | 29 |
| Complexity | 1102.6831 |
Chemical Identifiers
| CAS Number | 315710-47-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)SC4=C2CCC4 |
Product Overview
ChemDiv1_008993 (CAS 315710-47-5), with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol. IUPAC: 2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of ChemDiv1_008993
Property Insights of ChemDiv1_008993
The XLogP value of 3.5837 indicates that ChemDiv1_008993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008993. Following Lipinski's Rule of Five, ChemDiv1_008993 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_008993?
The CAS number of ChemDiv1_008993 is 315710-47-5.
What is the molecular formula of ChemDiv1_008993?
The molecular formula of ChemDiv1_008993 is C22H23N3O2S2.
What is the molecular weight of ChemDiv1_008993?
The molecular weight of ChemDiv1_008993 is 425.12 g/mol.
Where can I buy ChemDiv1_008993?
You can request a quote for ChemDiv1_008993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008993?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.