AF-399/40850923
TL;DR: AF-399/40850923 (CAS 379239-74-4) is a chemical compound with molecular formula C25H23N3O5S3 and molecular weight 541.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/40850923, F1174-3132, methyl 2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-{[5-(5-methylfuran-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C25H23N3O5S3 |
|---|---|
| Molecular Weight | 541.08 g/mol |
| LogP | 5.28002 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.07996 |
| Heavy Atoms | 36 |
| Complexity | 1558.8696 |
Chemical Identifiers
| CAS Number | 379239-74-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC)CC=C |
Product Overview
AF-399/40850923 (CAS 379239-74-4), with molecular formula C25H23N3O5S3 and molecular weight 541.08 g/mol. IUPAC: methyl 2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40850923
Property Insights of AF-399/40850923
The XLogP value of 5.28002 indicates that AF-399/40850923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40850923. Following Lipinski's Rule of Five, AF-399/40850923 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-399/40850923?
The CAS number of AF-399/40850923 is 379239-74-4.
What is the molecular formula of AF-399/40850923?
The molecular formula of AF-399/40850923 is C25H23N3O5S3.
What is the molecular weight of AF-399/40850923?
The molecular weight of AF-399/40850923 is 541.08 g/mol.
Where can I buy AF-399/40850923?
You can request a quote for AF-399/40850923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850923?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.