ChemDiv2_005643
TL;DR: ChemDiv2_005643 (CAS 488733-67-1) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-[(2-ethylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
Also Known As: ChemDiv2_005643, BAS 03428007, IDI1_004358, 3-amino-2-[(2-ethylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid, 3-amino-2-((2-ethylphenyl)carbamoyl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.6847 |
| Topological Polar Surface Area | 125.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 1051.7179 |
Chemical Identifiers
| CAS Number | 488733-67-1 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N |
Product Overview
ChemDiv2_005643 (CAS 488733-67-1), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: 3-amino-2-[(2-ethylphenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid.
Chemical Property Profile of ChemDiv2_005643
Property Insights of ChemDiv2_005643
The XLogP value of 2.6847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005643. The TPSA of 125.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005643. Following Lipinski's Rule of Five, ChemDiv2_005643 has 4 hydrogen bond donor(s) and 5 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 ChemDiv2_005643?
The CAS number of ChemDiv2_005643 is 488733-67-1.
What is the molecular formula of ChemDiv2_005643?
The molecular formula of ChemDiv2_005643 is C17H15N3O4S.
What is the molecular weight of ChemDiv2_005643?
The molecular weight of ChemDiv2_005643 is 357.08 g/mol.
Where can I buy ChemDiv2_005643?
You can request a quote for ChemDiv2_005643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005643?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.