3H-076
TL;DR: 3H-076 (CAS 400080-83-3) is a chemical compound with molecular formula C23H17ClF6N2O3S and molecular weight 550.06 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-(trifluoromethyl)phenyl]butanamide
Also Known As: 3H-076, 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]butanamide
| Molecular Formula | C23H17ClF6N2O3S |
|---|---|
| Molecular Weight | 550.06 g/mol |
| LogP | 6.7065 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.05524 |
| Heavy Atoms | 36 |
| Complexity | 1345.9453 |
Chemical Identifiers
| CAS Number | 400080-83-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-076 (CAS 400080-83-3), with molecular formula C23H17ClF6N2O3S and molecular weight 550.06 g/mol. IUPAC: 4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]butanamide.
Chemical Property Profile of 3H-076
Property Insights of 3H-076
The XLogP value of 6.7065 indicates that 3H-076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-076. Following Lipinski's Rule of Five, 3H-076 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-076?
The CAS number of 3H-076 is 400080-83-3.
What is the molecular formula of 3H-076?
The molecular formula of 3H-076 is C23H17ClF6N2O3S.
What is the molecular weight of 3H-076?
The molecular weight of 3H-076 is 550.06 g/mol.
Where can I buy 3H-076?
You can request a quote for 3H-076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-076?
Yes, KEHONG BIO provides custom synthesis services for 3H-076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.