AF-399/41370788
TL;DR: AF-399/41370788 (CAS 488726-87-0) is a chemical compound with molecular formula C23H22N4O4S3 and molecular weight 514.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/41370788, ethyl 2-[2-(5,6-dimethyl-4-oxo-3-phenyl(3-hydrothiopheno[2,3-d]pyrimidin-2-ylt hio))acetylamino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl (2Z)-2-({[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 2-({[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(2-((5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4-methylthiazole-5-carboxylate
| Molecular Formula | C23H22N4O4S3 |
|---|---|
| Molecular Weight | 514.08 g/mol |
| LogP | 4.73646 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.0803 |
| Heavy Atoms | 34 |
| Complexity | 1440.1888 |
Chemical Identifiers
| CAS Number | 488726-87-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C4=CC=CC=C4)C |
Product Overview
AF-399/41370788 (CAS 488726-87-0), with molecular formula C23H22N4O4S3 and molecular weight 514.08 g/mol. IUPAC: ethyl 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/41370788
Property Insights of AF-399/41370788
The XLogP value of 4.73646 indicates that AF-399/41370788 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41370788. Following Lipinski's Rule of Five, AF-399/41370788 has 1 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 AF-399/41370788?
The CAS number of AF-399/41370788 is 488726-87-0.
What is the molecular formula of AF-399/41370788?
The molecular formula of AF-399/41370788 is C23H22N4O4S3.
What is the molecular weight of AF-399/41370788?
The molecular weight of AF-399/41370788 is 514.08 g/mol.
Where can I buy AF-399/41370788?
You can request a quote for AF-399/41370788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41370788?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41370788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.