AF-399/13908004
TL;DR: AF-399/13908004 (CAS 307513-77-5) is a chemical compound with molecular formula C22H23N3O5S3 and molecular weight 505.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: AF-399/13908004, 4-ethyl 2-methyl 3-methyl-5-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamido)thiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate, F0745-1069, 4-ethyl 2-methyl 3-methyl-5-(2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)thiophene-2,4-dicarboxylate
| Molecular Formula | C22H23N3O5S3 |
|---|---|
| Molecular Weight | 505.08 g/mol |
| LogP | 4.63412 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.08 |
| Heavy Atoms | 33 |
| Complexity | 1233.8075 |
Chemical Identifiers
| CAS Number | 307513-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
AF-399/13908004 (CAS 307513-77-5), with molecular formula C22H23N3O5S3 and molecular weight 505.08 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of AF-399/13908004
Property Insights of AF-399/13908004
The XLogP value of 4.63412 indicates that AF-399/13908004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13908004. Following Lipinski's Rule of Five, AF-399/13908004 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/13908004?
The CAS number of AF-399/13908004 is 307513-77-5.
What is the molecular formula of AF-399/13908004?
The molecular formula of AF-399/13908004 is C22H23N3O5S3.
What is the molecular weight of AF-399/13908004?
The molecular weight of AF-399/13908004 is 505.08 g/mol.
Where can I buy AF-399/13908004?
You can request a quote for AF-399/13908004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13908004?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13908004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.