AP-982/40918872
TL;DR: AP-982/40918872 (CAS 491875-34-4) is a chemical compound with molecular formula C29H21N3O2S3 and molecular weight 539.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7Z)-7-benzylidene-4-(4-methylphenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
Also Known As: AP-982/40918872, 7-benzylidene-1-(4-methylphenyl)-9-phenyl-3-(2-thienylcarbonyl)-4,6-dithia-1,2,9-triazaspiro[4.4]non-2-en-8-one, (3Z)-3-benzylidene-6-(4-methylphenyl)-1-phenyl-8-(thiophene-2-carbonyl)-4,9-dithia-1,6,7-triazaspiro[4.4]non-7-en-2-one, (7Z)-7-benzylidene-4-(4-methylphenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
| Molecular Formula | C29H21N3O2S3 |
|---|---|
| Molecular Weight | 539.08 g/mol |
| LogP | 7.23852 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.0796 |
| Heavy Atoms | 37 |
| Complexity | 1517.8971 |
Chemical Identifiers
| CAS Number | 491875-34-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3(N(C(=O)/C(=C/C4=CC=CC=C4)/S3)C5=CC=CC=C5)SC(=N2)C(=O)C6=CC=CS6 |
Product Overview
AP-982/40918872 (CAS 491875-34-4), with molecular formula C29H21N3O2S3 and molecular weight 539.08 g/mol. IUPAC: (7Z)-7-benzylidene-4-(4-methylphenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one.
Chemical Property Profile of AP-982/40918872
Property Insights of AP-982/40918872
The XLogP value of 7.23852 indicates that AP-982/40918872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.98 Ų, AP-982/40918872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-982/40918872 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-982/40918872?
The CAS number of AP-982/40918872 is 491875-34-4.
What is the molecular formula of AP-982/40918872?
The molecular formula of AP-982/40918872 is C29H21N3O2S3.
What is the molecular weight of AP-982/40918872?
The molecular weight of AP-982/40918872 is 539.08 g/mol.
Where can I buy AP-982/40918872?
You can request a quote for AP-982/40918872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-982/40918872?
Yes, KEHONG BIO provides custom synthesis services for AP-982/40918872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.