ChemDiv3_001755
TL;DR: ChemDiv3_001755 (CAS 301694-07-5) is a chemical compound with molecular formula C20H23NO4S and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv3_001755, IDI1_020721, AF-399/12447289, methyl 2-{[(4-ethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, BRD-K35703927-001-01-1
| Molecular Formula | C20H23NO4S |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 3.9934 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.13477 |
| Heavy Atoms | 26 |
| Complexity | 794.8877 |
Chemical Identifiers
| CAS Number | 301694-07-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
ChemDiv3_001755 (CAS 301694-07-5), with molecular formula C20H23NO4S and molecular weight 373.13 g/mol. IUPAC: methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv3_001755
Property Insights of ChemDiv3_001755
The XLogP value of 3.9934 indicates that ChemDiv3_001755 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001755. Following Lipinski's Rule of Five, ChemDiv3_001755 has 1 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 ChemDiv3_001755?
The CAS number of ChemDiv3_001755 is 301694-07-5.
What is the molecular formula of ChemDiv3_001755?
The molecular formula of ChemDiv3_001755 is C20H23NO4S.
What is the molecular weight of ChemDiv3_001755?
The molecular weight of ChemDiv3_001755 is 373.13 g/mol.
Where can I buy ChemDiv3_001755?
You can request a quote for ChemDiv3_001755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001755?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.