AP-982/41979509
TL;DR: AP-982/41979509 (CAS 667908-03-4) is a chemical compound with molecular formula C27H21N3O5S2 and molecular weight 531.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (7E)-7-(1,3-benzodioxol-5-ylmethylidene)-4-(3-methylphenyl)-8-oxo-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxylate
Also Known As: AP-982/41979509, methyl 7-(1,3-benzodioxol-5-ylmethylene)-1-(3-methylphenyl)-8-oxo-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]non-2-ene-3-carboxylate, methyl (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-6-(3-methylphenyl)-2-oxo-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]non-7-ene-8-carboxylate, methyl (7E)-7-(1,3-benzodioxol-5-ylmethylidene)-4-(3-methylphenyl)-8-oxo-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C27H21N3O5S2 |
|---|---|
| Molecular Weight | 531.09 g/mol |
| LogP | 5.19582 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.0923 |
| Heavy Atoms | 37 |
| Complexity | 1475.8732 |
Chemical Identifiers
| CAS Number | 667908-03-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3(N(C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/S3)C6=CC=CC=C6)SC(=N2)C(=O)OC |
Product Overview
AP-982/41979509 (CAS 667908-03-4), with molecular formula C27H21N3O5S2 and molecular weight 531.09 g/mol. IUPAC: methyl (7E)-7-(1,3-benzodioxol-5-ylmethylidene)-4-(3-methylphenyl)-8-oxo-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxylate.
Chemical Property Profile of AP-982/41979509
Property Insights of AP-982/41979509
The XLogP value of 5.19582 indicates that AP-982/41979509 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-982/41979509. Following Lipinski's Rule of Five, AP-982/41979509 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AP-982/41979509?
The CAS number of AP-982/41979509 is 667908-03-4.
What is the molecular formula of AP-982/41979509?
The molecular formula of AP-982/41979509 is C27H21N3O5S2.
What is the molecular weight of AP-982/41979509?
The molecular weight of AP-982/41979509 is 531.09 g/mol.
Where can I buy AP-982/41979509?
You can request a quote for AP-982/41979509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-982/41979509?
Yes, KEHONG BIO provides custom synthesis services for AP-982/41979509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.