AF-399/40878642
TL;DR: AF-399/40878642 (CAS 370849-87-9) is a chemical compound with molecular formula C26H31N3O3S2 and molecular weight 497.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-hydroxy-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
Also Known As: AF-399/40878642, N-cyclohexyl-4-hydroxy-2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-2-ylthio))butanamide, N-cyclohexyl-4-hydroxy-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide, N-cyclohexyl-4-hydroxy-2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanamide, N-cyclohexyl-4-hydroxy-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
| Molecular Formula | C26H31N3O3S2 |
|---|---|
| Molecular Weight | 497.18 g/mol |
| LogP | 4.618 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1807 |
| Heavy Atoms | 34 |
| Complexity | 1215.4941 |
Chemical Identifiers
| CAS Number | 370849-87-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)C(CCO)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AF-399/40878642 (CAS 370849-87-9), with molecular formula C26H31N3O3S2 and molecular weight 497.18 g/mol. IUPAC: N-cyclohexyl-4-hydroxy-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide.
Chemical Property Profile of AF-399/40878642
Property Insights of AF-399/40878642
The XLogP value of 4.618 indicates that AF-399/40878642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40878642. Following Lipinski's Rule of Five, AF-399/40878642 has 2 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 AF-399/40878642?
The CAS number of AF-399/40878642 is 370849-87-9.
What is the molecular formula of AF-399/40878642?
The molecular formula of AF-399/40878642 is C26H31N3O3S2.
What is the molecular weight of AF-399/40878642?
The molecular weight of AF-399/40878642 is 497.18 g/mol.
Where can I buy AF-399/40878642?
You can request a quote for AF-399/40878642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40878642?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40878642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.