3H-067
TL;DR: 3H-067 (CAS 338407-43-5) is a chemical compound with molecular formula C28H19Cl2F6N3O4S and molecular weight 677.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]butanamide
Also Known As: 3H-067, 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]butanamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-chloro-4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-4-(phenylsulfonyl)butanamide, 4-(benzenesulfonyl)-N-(3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanamide
| Molecular Formula | C28H19Cl2F6N3O4S |
|---|---|
| Molecular Weight | 677.04 g/mol |
| LogP | 8.5472 |
| Topological Polar Surface Area | 98.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 677.0378 |
| Heavy Atoms | 44 |
| Complexity | 1754.4059 |
Chemical Identifiers
| CAS Number | 338407-43-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F)Cl)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3H-067 (CAS 338407-43-5), with molecular formula C28H19Cl2F6N3O4S and molecular weight 677.04 g/mol. IUPAC: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]butanamide.
Chemical Property Profile of 3H-067
Property Insights of 3H-067
The XLogP value of 8.5472 indicates that 3H-067 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 3H-067. Following Lipinski's Rule of Five, 3H-067 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 3H-067?
The CAS number of 3H-067 is 338407-43-5.
What is the molecular formula of 3H-067?
The molecular formula of 3H-067 is C28H19Cl2F6N3O4S.
What is the molecular weight of 3H-067?
The molecular weight of 3H-067 is 677.04 g/mol.
Where can I buy 3H-067?
You can request a quote for 3H-067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-067?
Yes, KEHONG BIO provides custom synthesis services for 3H-067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.