ChemDiv1_008340
TL;DR: ChemDiv1_008340 (CAS 315693-17-5) is a chemical compound with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: ChemDiv1_008340, DivK1c_002980, CDS1_001940, UPCMLD0ENAT0513-9157:001, AF-399/15128525
| Molecular Formula | C20H21N3OS2 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 3.93942 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.1126 |
| Heavy Atoms | 26 |
| Complexity | 937.12933 |
Chemical Identifiers
| CAS Number | 315693-17-5 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NCCC4=CC=CC=C4 |
Product Overview
ChemDiv1_008340 (CAS 315693-17-5), with molecular formula C20H21N3OS2 and molecular weight 383.11 g/mol. IUPAC: 2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of ChemDiv1_008340
Property Insights of ChemDiv1_008340
The XLogP value of 3.93942 indicates that ChemDiv1_008340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, ChemDiv1_008340 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008340 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_008340?
The CAS number of ChemDiv1_008340 is 315693-17-5.
What is the molecular formula of ChemDiv1_008340?
The molecular formula of ChemDiv1_008340 is C20H21N3OS2.
What is the molecular weight of ChemDiv1_008340?
The molecular weight of ChemDiv1_008340 is 383.11 g/mol.
Where can I buy ChemDiv1_008340?
You can request a quote for ChemDiv1_008340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008340?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.