C071-0405
TL;DR: C071-0405 (CAS 442863-18-5) is a chemical compound with molecular formula C22H18ClF4N3O4S and molecular weight 531.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
Also Known As: C071-0405, N-(3-Chloro-4-fluorophenyl)-4-((4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)sulfonyl)butanamide, N-(3-chloro-4-fluorophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide, N-(3-chloro-4-fluorophenyl)-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide, N-(3-chloro-4-fluorophenyl)-4-{[6-(2-methoxyphenyl)-4-(trifluoromethyl)pyrimid in-2-yl]sulfonyl}butanamide
| Molecular Formula | C22H18ClF4N3O4S |
|---|---|
| Molecular Weight | 531.06 g/mol |
| LogP | 5.1561 |
| Topological Polar Surface Area | 98.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.0643 |
| Heavy Atoms | 35 |
| Complexity | 1350.7678 |
Chemical Identifiers
| CAS Number | 442863-18-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=CC(=C(C=C3)F)Cl)C(F)(F)F |
Product Overview
C071-0405 (CAS 442863-18-5), with molecular formula C22H18ClF4N3O4S and molecular weight 531.06 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide.
Chemical Property Profile of C071-0405
Property Insights of C071-0405
The XLogP value of 5.1561 indicates that C071-0405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.25 Ų falls within the moderate polarity range, balancing permeability and solubility for C071-0405. Following Lipinski's Rule of Five, C071-0405 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C071-0405?
The CAS number of C071-0405 is 442863-18-5.
What is the molecular formula of C071-0405?
The molecular formula of C071-0405 is C22H18ClF4N3O4S.
What is the molecular weight of C071-0405?
The molecular weight of C071-0405 is 531.06 g/mol.
Where can I buy C071-0405?
You can request a quote for C071-0405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C071-0405?
Yes, KEHONG BIO provides custom synthesis services for C071-0405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.