AF-399/15030023
TL;DR: AF-399/15030023 (CAS 315684-76-5) is a chemical compound with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: AF-399/15030023, ethyl 2-{[3-nitro-4-(1-piperidinyl)benzoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(3-nitro-4-(piperidin-1-yl)benzamido)thiophene-3-carboxylate
| Molecular Formula | C21H25N3O5S |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 4.69244 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1515 |
| Heavy Atoms | 30 |
| Complexity | 979.2617 |
Chemical Identifiers
| CAS Number | 315684-76-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-] |
Product Overview
AF-399/15030023 (CAS 315684-76-5), with molecular formula C21H25N3O5S and molecular weight 431.15 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15030023
Property Insights of AF-399/15030023
The XLogP value of 4.69244 indicates that AF-399/15030023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15030023. Following Lipinski's Rule of Five, AF-399/15030023 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-399/15030023?
The CAS number of AF-399/15030023 is 315684-76-5.
What is the molecular formula of AF-399/15030023?
The molecular formula of AF-399/15030023 is C21H25N3O5S.
What is the molecular weight of AF-399/15030023?
The molecular weight of AF-399/15030023 is 431.15 g/mol.
Where can I buy AF-399/15030023?
You can request a quote for AF-399/15030023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15030023?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15030023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.