AF-399/41945544
TL;DR: AF-399/41945544 (CAS 497082-08-3) is a chemical compound with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate
Also Known As: AF-399/41945544, ethyl 4-[3-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate, ethyl 4-({3-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate, ethyl 4-(3-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)propanamido)benzoate, ethyl 4-[(3-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoyl)amino]benzoate
| Molecular Formula | C23H25N3O4S2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.55844 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.12866 |
| Heavy Atoms | 32 |
| Complexity | 1212.69 |
Chemical Identifiers
| CAS Number | 497082-08-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C |
Product Overview
AF-399/41945544 (CAS 497082-08-3), with molecular formula C23H25N3O4S2 and molecular weight 471.13 g/mol. IUPAC: ethyl 4-[3-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzoate.
Chemical Property Profile of AF-399/41945544
Property Insights of AF-399/41945544
The XLogP value of 4.55844 indicates that AF-399/41945544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945544. Following Lipinski's Rule of Five, AF-399/41945544 has 1 hydrogen bond donor(s) and 7 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-399/41945544?
The CAS number of AF-399/41945544 is 497082-08-3.
What is the molecular formula of AF-399/41945544?
The molecular formula of AF-399/41945544 is C23H25N3O4S2.
What is the molecular weight of AF-399/41945544?
The molecular weight of AF-399/41945544 is 471.13 g/mol.
Where can I buy AF-399/41945544?
You can request a quote for AF-399/41945544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945544?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.