AI-942/13332107
TL;DR: AI-942/13332107 (CAS 6448-79-9) is a chemical compound with molecular formula C17H18O4S2 and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-8,8-dicarboxylate
Also Known As: AI-942/13332107, Diethyl 3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-8,8-dicarboxylate, 4,6-Dihydro-cyclohepta[2,1-b;3,4-b']dithiophene-5,5-dicarboxylic acid diethyl ester, diethyl 4,6-dihydro-5H-cyclohepta[1,2-b:7,6-b']bisthiophene-5,5-dicarboxylate, diethyl 4,6-dihydro-5H-thieno[3',2':6,7]cyclohepta[1,2-b]thiophene-5,5-dicarboxylate
| Molecular Formula | C17H18O4S2 |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 3.6878 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.06464 |
| Heavy Atoms | 23 |
| Complexity | 666.2888 |
Chemical Identifiers
| CAS Number | 6448-79-9 |
|---|---|
| SMILES | CCOC(=O)C1(CC2=C(C3=C(C1)C=CS3)SC=C2)C(=O)OCC |
Product Overview
AI-942/13332107 (CAS 6448-79-9), with molecular formula C17H18O4S2 and molecular weight 350.06 g/mol. IUPAC: diethyl 3,13-dithiatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-8,8-dicarboxylate.
Chemical Property Profile of AI-942/13332107
Property Insights of AI-942/13332107
The XLogP value of 3.6878 indicates that AI-942/13332107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, AI-942/13332107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI-942/13332107 has 0 hydrogen bond donor(s) and 6 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 AI-942/13332107?
The CAS number of AI-942/13332107 is 6448-79-9.
What is the molecular formula of AI-942/13332107?
The molecular formula of AI-942/13332107 is C17H18O4S2.
What is the molecular weight of AI-942/13332107?
The molecular weight of AI-942/13332107 is 350.06 g/mol.
Where can I buy AI-942/13332107?
You can request a quote for AI-942/13332107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-942/13332107?
Yes, KEHONG BIO provides custom synthesis services for AI-942/13332107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.