11H-005
TL;DR: 11H-005 (CAS 303151-80-6) is a chemical compound with molecular formula C24H20F3N3O5S and molecular weight 519.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzenesulfonyl(nitro)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: 11H-005, 1-[benzenesulfonyl(nitro)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide, 1-[nitro(phenylsulfonyl)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide, 1-[(benzenesulfonyl)(nitro)methyl]-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
| Molecular Formula | C24H20F3N3O5S |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 4.9134 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1076 |
| Heavy Atoms | 36 |
| Complexity | 1397.361 |
Chemical Identifiers
| CAS Number | 303151-80-6 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
11H-005 (CAS 303151-80-6), with molecular formula C24H20F3N3O5S and molecular weight 519.11 g/mol. IUPAC: 1-[benzenesulfonyl(nitro)methyl]-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
Chemical Property Profile of 11H-005
Property Insights of 11H-005
The XLogP value of 4.9134 indicates that 11H-005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 11H-005. Following Lipinski's Rule of Five, 11H-005 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11H-005?
The CAS number of 11H-005 is 303151-80-6.
What is the molecular formula of 11H-005?
The molecular formula of 11H-005 is C24H20F3N3O5S.
What is the molecular weight of 11H-005?
The molecular weight of 11H-005 is 519.11 g/mol.
Where can I buy 11H-005?
You can request a quote for 11H-005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-005?
Yes, KEHONG BIO provides custom synthesis services for 11H-005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.