ASN 05105998
TL;DR: ASN 05105998 (CAS 579455-41-7) is a chemical compound with molecular formula C31H28ClFN2O4S and molecular weight 578.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: ASN 05105998, 3-chloro-N-[(1,2-dihydro-5,8-dimethyl-2-oxo-3-quinolinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluorobenzo[b]thiophene-2-carboxamide, 3-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide, 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide, BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-[(1,2-DIHYDRO-5,8-DIMETHYL-2-OXO-3-QUINOLINYL)METHYL]-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-6-FLUORO-
| Molecular Formula | C31H28ClFN2O4S |
|---|---|
| Molecular Weight | 578.14 g/mol |
| LogP | 7.05444 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 578.1442 |
| Heavy Atoms | 40 |
| Complexity | 1813.5405 |
Chemical Identifiers
| CAS Number | 579455-41-7 |
|---|---|
| SMILES | CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCC3=CC(=C(C=C3)OC)OC)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl |
Product Overview
ASN 05105998 (CAS 579455-41-7), with molecular formula C31H28ClFN2O4S and molecular weight 578.14 g/mol. IUPAC: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ASN 05105998
Property Insights of ASN 05105998
The XLogP value of 7.05444 indicates that ASN 05105998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05105998. Following Lipinski's Rule of Five, ASN 05105998 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 ASN 05105998?
The CAS number of ASN 05105998 is 579455-41-7.
What is the molecular formula of ASN 05105998?
The molecular formula of ASN 05105998 is C31H28ClFN2O4S.
What is the molecular weight of ASN 05105998?
The molecular weight of ASN 05105998 is 578.14 g/mol.
Where can I buy ASN 05105998?
You can request a quote for ASN 05105998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05105998?
Yes, KEHONG BIO provides custom synthesis services for ASN 05105998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.