AF-399/15392040
TL;DR: AF-399/15392040 (CAS 315708-81-7) is a chemical compound with molecular formula C24H24N4O2S2 and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)but-2-enediamide
Also Known As: AF-399/15392040, N~1~,N~4~-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-butenediamide, (E)-N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)but-2-enediamide, (2E)-N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)but-2-enediamide, (2E)-N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))-N'-(3-cya no(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))but-2-ene-1,4-diamide
| Molecular Formula | C24H24N4O2S2 |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 5.22416 |
| Topological Polar Surface Area | 105.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.13406 |
| Heavy Atoms | 32 |
| Complexity | 1070.0302 |
Chemical Identifiers
| CAS Number | 315708-81-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)/C=C/C(=O)NC3=C(C4=C(S3)CCCCC4)C#N |
Product Overview
AF-399/15392040 (CAS 315708-81-7), with molecular formula C24H24N4O2S2 and molecular weight 464.13 g/mol. IUPAC: (E)-N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)but-2-enediamide.
Chemical Property Profile of AF-399/15392040
Property Insights of AF-399/15392040
The XLogP value of 5.22416 indicates that AF-399/15392040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15392040. Following Lipinski's Rule of Five, AF-399/15392040 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15392040?
The CAS number of AF-399/15392040 is 315708-81-7.
What is the molecular formula of AF-399/15392040?
The molecular formula of AF-399/15392040 is C24H24N4O2S2.
What is the molecular weight of AF-399/15392040?
The molecular weight of AF-399/15392040 is 464.13 g/mol.
Where can I buy AF-399/15392040?
You can request a quote for AF-399/15392040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15392040?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15392040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.