ASN 05107731
TL;DR: ASN 05107731 (CAS 579457-66-2) is a chemical compound with molecular formula C27H21ClN2O3S and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: ASN 05107731, BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-[(1,2-DIHYDRO-6-METHOXY-2-OXO-3-QUINOLINYL)METHYL]-N-(PHENYLMETHYL)-, N-Benzyl-3-chloro-N-[(6-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-1-benzothiophene-2-carboxamide, N-benzyl-3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C27H21ClN2O3S |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 6.2474 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.09613 |
| Heavy Atoms | 34 |
| Complexity | 1559.3125 |
Chemical Identifiers
| CAS Number | 579457-66-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl |
Product Overview
ASN 05107731 (CAS 579457-66-2), with molecular formula C27H21ClN2O3S and molecular weight 488.10 g/mol. IUPAC: N-benzyl-3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ASN 05107731
Property Insights of ASN 05107731
The XLogP value of 6.2474 indicates that ASN 05107731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05107731. Following Lipinski's Rule of Five, ASN 05107731 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 05107731?
The CAS number of ASN 05107731 is 579457-66-2.
What is the molecular formula of ASN 05107731?
The molecular formula of ASN 05107731 is C27H21ClN2O3S.
What is the molecular weight of ASN 05107731?
The molecular weight of ASN 05107731 is 488.10 g/mol.
Where can I buy ASN 05107731?
You can request a quote for ASN 05107731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05107731?
Yes, KEHONG BIO provides custom synthesis services for ASN 05107731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.