AB00666793-01
TL;DR: AB00666793-01 (CAS 312917-60-5) is a chemical compound with molecular formula C23H23NO4S and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00666793-01, ethyl 2-(3-methoxy-2-naphthamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0016-0593, ETHYL 2-(3-METHOXYNAPHTHALENE-2-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H23NO4S |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 5.2177 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.13477 |
| Heavy Atoms | 29 |
| Complexity | 1085.9165 |
Chemical Identifiers
| CAS Number | 312917-60-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4C=C3OC |
Product Overview
AB00666793-01 (CAS 312917-60-5), with molecular formula C23H23NO4S and molecular weight 409.13 g/mol. IUPAC: ethyl 2-[(3-methoxynaphthalene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00666793-01
Property Insights of AB00666793-01
The XLogP value of 5.2177 indicates that AB00666793-01 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 AB00666793-01. Following Lipinski's Rule of Five, AB00666793-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00666793-01?
The CAS number of AB00666793-01 is 312917-60-5.
What is the molecular formula of AB00666793-01?
The molecular formula of AB00666793-01 is C23H23NO4S.
What is the molecular weight of AB00666793-01?
The molecular weight of AB00666793-01 is 409.13 g/mol.
Where can I buy AB00666793-01?
You can request a quote for AB00666793-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00666793-01?
Yes, KEHONG BIO provides custom synthesis services for AB00666793-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.