AF-399/40850887
TL;DR: AF-399/40850887 (CAS 379239-68-6) is a chemical compound with molecular formula C28H29N3O5S3 and molecular weight 583.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AF-399/40850887, ethyl 2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, F1174-3125, ethyl 2-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 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,7H,8H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C28H29N3O5S3 |
|---|---|
| Molecular Weight | 583.13 g/mol |
| LogP | 6.45032 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 583.12695 |
| Heavy Atoms | 39 |
| Complexity | 1610.3069 |
Chemical Identifiers
| CAS Number | 379239-68-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(O5)C)C(=O)N3CC=C |
Product Overview
AF-399/40850887 (CAS 379239-68-6), with molecular formula C28H29N3O5S3 and molecular weight 583.13 g/mol. IUPAC: ethyl 2-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40850887
Property Insights of AF-399/40850887
The XLogP value of 6.45032 indicates that AF-399/40850887 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-399/40850887. Following Lipinski's Rule of Five, AF-399/40850887 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-399/40850887?
The CAS number of AF-399/40850887 is 379239-68-6.
What is the molecular formula of AF-399/40850887?
The molecular formula of AF-399/40850887 is C28H29N3O5S3.
What is the molecular weight of AF-399/40850887?
The molecular weight of AF-399/40850887 is 583.13 g/mol.
Where can I buy AF-399/40850887?
You can request a quote for AF-399/40850887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850887?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.