ASN 05109398
TL;DR: ASN 05109398 (CAS 579516-68-0) is a chemical compound with molecular formula C31H28ClFN2O6S and molecular weight 610.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: ASN 05109398, 3-chloro-N-[(1,2-dihydro-6,7-dimethoxy-2-oxo-3-quinolinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluorobenzo[b]thiophene-2-carboxamide, 3-Chloro-N-[(6,7-dimethoxy-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide, 3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide, BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-[(1,2-DIHYDRO-6,7-DIMETHOXY-2-OXO-3-QUINOLINYL)METHYL]-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-6-FLUORO-
| Molecular Formula | C31H28ClFN2O6S |
|---|---|
| Molecular Weight | 610.13 g/mol |
| LogP | 6.4548 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 610.13403 |
| Heavy Atoms | 42 |
| Complexity | 1853.639 |
Chemical Identifiers
| CAS Number | 579516-68-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl)OC |
Product Overview
ASN 05109398 (CAS 579516-68-0), with molecular formula C31H28ClFN2O6S and molecular weight 610.13 g/mol. IUPAC: 3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ASN 05109398
Property Insights of ASN 05109398
The XLogP value of 6.4548 indicates that ASN 05109398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 05109398. Following Lipinski's Rule of Five, ASN 05109398 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 05109398?
The CAS number of ASN 05109398 is 579516-68-0.
What is the molecular formula of ASN 05109398?
The molecular formula of ASN 05109398 is C31H28ClFN2O6S.
What is the molecular weight of ASN 05109398?
The molecular weight of ASN 05109398 is 610.13 g/mol.
Where can I buy ASN 05109398?
You can request a quote for ASN 05109398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05109398?
Yes, KEHONG BIO provides custom synthesis services for ASN 05109398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.