AF-399/40923129
TL;DR: AF-399/40923129 (CAS 496027-96-4) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-5-[2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
Also Known As: AF-399/40923129, F1174-3230, methyl 2,4-dimethyl-5-(2-((7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetyl)-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-[2-({11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)acetyl]-1H-pyrrole-3-carboxylate, methyl 2,4-dimethyl-5-[2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.52264 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1116.2622 |
Chemical Identifiers
| CAS Number | 496027-96-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)C4=C(C(=C(N4)C)C(=O)OC)C |
Product Overview
AF-399/40923129 (CAS 496027-96-4), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: methyl 2,4-dimethyl-5-[2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of AF-399/40923129
Property Insights of AF-399/40923129
The XLogP value of 4.52264 indicates that AF-399/40923129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40923129. Following Lipinski's Rule of Five, AF-399/40923129 has 1 hydrogen bond donor(s) and 7 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-399/40923129?
The CAS number of AF-399/40923129 is 496027-96-4.
What is the molecular formula of AF-399/40923129?
The molecular formula of AF-399/40923129 is C21H23N3O3S2.
What is the molecular weight of AF-399/40923129?
The molecular weight of AF-399/40923129 is 429.12 g/mol.
Where can I buy AF-399/40923129?
You can request a quote for AF-399/40923129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40923129?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40923129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.