ASN 05104842
TL;DR: ASN 05104842 (CAS 579453-90-0) is a chemical compound with molecular formula C27H26ClFN2O2S and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
Also Known As: ASN 05104842, Benzo[b]thiophene-2-carboxamide,3-chloro-N-cyclohexyl-N-[ methyl]-6-fluoro-, 3-chloro-N-cyclohexyl-N-[(1,2-dihydro-5,7-dimethyl-2-oxo-3-quinolinyl)methyl]-6-fluorobenzo[b]thiophene-2-carboxamide, 3-Chloro-N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide, 3-chloro-N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
| Molecular Formula | C27H26ClFN2O2S |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 7.12724 |
| Topological Polar Surface Area | 53.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.13876 |
| Heavy Atoms | 34 |
| Complexity | 1469.2849 |
Chemical Identifiers
| CAS Number | 579453-90-0 |
|---|---|
| SMILES | CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCCC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl)C |
Product Overview
ASN 05104842 (CAS 579453-90-0), with molecular formula C27H26ClFN2O2S and molecular weight 496.14 g/mol. IUPAC: 3-chloro-N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ASN 05104842
Property Insights of ASN 05104842
The XLogP value of 7.12724 indicates that ASN 05104842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.17 Ų, ASN 05104842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ASN 05104842 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 05104842?
The CAS number of ASN 05104842 is 579453-90-0.
What is the molecular formula of ASN 05104842?
The molecular formula of ASN 05104842 is C27H26ClFN2O2S.
What is the molecular weight of ASN 05104842?
The molecular weight of ASN 05104842 is 496.14 g/mol.
Where can I buy ASN 05104842?
You can request a quote for ASN 05104842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 05104842?
Yes, KEHONG BIO provides custom synthesis services for ASN 05104842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.