3H-011
TL;DR: 3H-011 (CAS 338406-72-7) is a chemical compound with molecular formula C17H12Cl2F3N3O2S and molecular weight 449.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-sulfonamide
Also Known As: 3H-011, N-(4-chlorobenzyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-sulfonamide, N-[(4-chlorophenyl)methyl]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrole-2-sulfonamide, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-chlorophenyl)methyl]-1H-pyrrole-2-sulfonamide
| Molecular Formula | C17H12Cl2F3N3O2S |
|---|---|
| Molecular Weight | 449.00 g/mol |
| LogP | 4.6764 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.99792 |
| Heavy Atoms | 28 |
| Complexity | 1097.5806 |
Chemical Identifiers
| CAS Number | 338406-72-7 |
|---|---|
| SMILES | C1=CN(C(=C1)S(=O)(=O)NCC2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-011 (CAS 338406-72-7), with molecular formula C17H12Cl2F3N3O2S and molecular weight 449.00 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-sulfonamide.
Chemical Property Profile of 3H-011
Property Insights of 3H-011
The XLogP value of 4.6764 indicates that 3H-011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-011. Following Lipinski's Rule of Five, 3H-011 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 3H-011?
The CAS number of 3H-011 is 338406-72-7.
What is the molecular formula of 3H-011?
The molecular formula of 3H-011 is C17H12Cl2F3N3O2S.
What is the molecular weight of 3H-011?
The molecular weight of 3H-011 is 449.00 g/mol.
Where can I buy 3H-011?
You can request a quote for 3H-011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-011?
Yes, KEHONG BIO provides custom synthesis services for 3H-011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.