D048-0009
TL;DR: D048-0009 (CAS 1008695-38-2) is a chemical compound with molecular formula C22H17ClF2N2O3S and molecular weight 462.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: D048-0009, N-(3-chloro-4-fluorophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-(3-chloro-4-fluorophenyl){2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroi soquinolyl)}carboxamide
| Molecular Formula | C22H17ClF2N2O3S |
|---|---|
| Molecular Weight | 462.06 g/mol |
| LogP | 4.3725 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.06165 |
| Heavy Atoms | 31 |
| Complexity | 1249.8657 |
Chemical Identifiers
| CAS Number | 1008695-38-2 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
D048-0009 (CAS 1008695-38-2), with molecular formula C22H17ClF2N2O3S and molecular weight 462.06 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of D048-0009
Property Insights of D048-0009
The XLogP value of 4.3725 indicates that D048-0009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for D048-0009. Following Lipinski's Rule of Five, D048-0009 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D048-0009?
The CAS number of D048-0009 is 1008695-38-2.
What is the molecular formula of D048-0009?
The molecular formula of D048-0009 is C22H17ClF2N2O3S.
What is the molecular weight of D048-0009?
The molecular weight of D048-0009 is 462.06 g/mol.
Where can I buy D048-0009?
You can request a quote for D048-0009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D048-0009?
Yes, KEHONG BIO provides custom synthesis services for D048-0009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.