AF-399/40851600
TL;DR: AF-399/40851600 (CAS 683780-04-3) is a chemical compound with molecular formula C23H21N3O5S2 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: AF-399/40851600, F1174-3165, methyl 5-(2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-(2-((3-allyl-5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C23H21N3O5S2 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 4.61054 |
| Topological Polar Surface Area | 107.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.09225 |
| Heavy Atoms | 33 |
| Complexity | 1426.6493 |
Chemical Identifiers
| CAS Number | 683780-04-3 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2CC=C |
Product Overview
AF-399/40851600 (CAS 683780-04-3), with molecular formula C23H21N3O5S2 and molecular weight 483.09 g/mol. IUPAC: methyl 5-[2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of AF-399/40851600
Property Insights of AF-399/40851600
The XLogP value of 4.61054 indicates that AF-399/40851600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851600. Following Lipinski's Rule of Five, AF-399/40851600 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851600?
The CAS number of AF-399/40851600 is 683780-04-3.
What is the molecular formula of AF-399/40851600?
The molecular formula of AF-399/40851600 is C23H21N3O5S2.
What is the molecular weight of AF-399/40851600?
The molecular weight of AF-399/40851600 is 483.09 g/mol.
Where can I buy AF-399/40851600?
You can request a quote for AF-399/40851600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851600?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.