AB00685246-01
TL;DR: AB00685246-01 (CAS 477537-16-9) is a chemical compound with molecular formula C21H25N3O7S2 and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5-nitrothiophene-3-carboxylate
Also Known As: AB00685246-01, ethyl 2-(4-((3,5-dimethylpiperidin-1-yl)sulfonyl)benzamido)-5-nitrothiophene-3-carboxylate, F0816-0491, ethyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5-nitrothiophene-3-carboxylate, ethyl 2-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}-5-nitrothiophene-3-carboxylate
| Molecular Formula | C21H25N3O7S2 |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 3.7519 |
| Topological Polar Surface Area | 135.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.1134 |
| Heavy Atoms | 33 |
| Complexity | 1149.021 |
Chemical Identifiers
| CAS Number | 477537-16-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C |
Product Overview
AB00685246-01 (CAS 477537-16-9), with molecular formula C21H25N3O7S2 and molecular weight 495.11 g/mol. IUPAC: ethyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of AB00685246-01
Property Insights of AB00685246-01
The XLogP value of 3.7519 indicates that AB00685246-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685246-01. Following Lipinski's Rule of Five, AB00685246-01 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 AB00685246-01?
The CAS number of AB00685246-01 is 477537-16-9.
What is the molecular formula of AB00685246-01?
The molecular formula of AB00685246-01 is C21H25N3O7S2.
What is the molecular weight of AB00685246-01?
The molecular weight of AB00685246-01 is 495.11 g/mol.
Where can I buy AB00685246-01?
You can request a quote for AB00685246-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685246-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685246-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.