AF-399/40654112
TL;DR: AF-399/40654112 (CAS 315697-02-0) is a chemical compound with molecular formula C27H29N3OS2 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: AF-399/40654112, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methyl(5,6,7,8-tetrahy drobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio))ethan-1-one
| Molecular Formula | C27H29N3OS2 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 6.8779 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.1752 |
| Heavy Atoms | 33 |
| Complexity | 1396.62 |
Chemical Identifiers
| CAS Number | 315697-02-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C)C)C |
Product Overview
AF-399/40654112 (CAS 315697-02-0), with molecular formula C27H29N3OS2 and molecular weight 475.18 g/mol. IUPAC: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of AF-399/40654112
Property Insights of AF-399/40654112
The XLogP value of 6.8779 indicates that AF-399/40654112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AF-399/40654112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40654112 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40654112?
The CAS number of AF-399/40654112 is 315697-02-0.
What is the molecular formula of AF-399/40654112?
The molecular formula of AF-399/40654112 is C27H29N3OS2.
What is the molecular weight of AF-399/40654112?
The molecular weight of AF-399/40654112 is 475.18 g/mol.
Where can I buy AF-399/40654112?
You can request a quote for AF-399/40654112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654112?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.