AF-399/15335227
TL;DR: AF-399/15335227 (CAS 315710-65-7) is a chemical compound with molecular formula C28H27N3O5S3 and molecular weight 581.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methoxyphenyl)-2-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/15335227, F1174-1837, ethyl 2-(2-((3-allyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 4-(4-methoxyphenyl)-2-(2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamido)thiophene-3-carboxylate, ethyl 2-({[(3-allyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4-(4-methoxyphenyl)-3-thiophenecarboxylate
| Molecular Formula | C28H27N3O5S3 |
|---|---|
| Molecular Weight | 581.11 g/mol |
| LogP | 5.7773 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 581.11127 |
| Heavy Atoms | 39 |
| Complexity | 1618.0938 |
Chemical Identifiers
| CAS Number | 315710-65-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC4=C(C5=C(S4)CCC5)C(=O)N3CC=C |
Product Overview
AF-399/15335227 (CAS 315710-65-7), with molecular formula C28H27N3O5S3 and molecular weight 581.11 g/mol. IUPAC: ethyl 4-(4-methoxyphenyl)-2-[[2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15335227
Property Insights of AF-399/15335227
The XLogP value of 5.7773 indicates that AF-399/15335227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335227. Following Lipinski's Rule of Five, AF-399/15335227 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-399/15335227?
The CAS number of AF-399/15335227 is 315710-65-7.
What is the molecular formula of AF-399/15335227?
The molecular formula of AF-399/15335227 is C28H27N3O5S3.
What is the molecular weight of AF-399/15335227?
The molecular weight of AF-399/15335227 is 581.11 g/mol.
Where can I buy AF-399/15335227?
You can request a quote for AF-399/15335227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335227?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.