RefChem:255927
TL;DR: RefChem:255927 (CAS 588692-38-0) is a chemical compound with molecular formula C19H22ClN3O3S and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-Amino-N-(2-chloro-5-nitrophenyl)-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, [2-amino-6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-(2-chloro- 5-nitrophenyl)carboxamide, 2-amino-6-tert-butyl-N-(2-chloro-5-nitro-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide, 2-amino-N-(2-chloro-5-nitro-phenyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
| Molecular Formula | C19H22ClN3O3S |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 5.2952 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.10703 |
| Heavy Atoms | 27 |
| Complexity | 917.6542 |
Chemical Identifiers
| CAS Number | 588692-38-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)N |
Product Overview
RefChem:255927 (CAS 588692-38-0), with molecular formula C19H22ClN3O3S and molecular weight 407.11 g/mol. IUPAC: 2-amino-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of RefChem:255927
Property Insights of RefChem:255927
The XLogP value of 5.2952 indicates that RefChem:255927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:255927. Following Lipinski's Rule of Five, RefChem:255927 has 2 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 RefChem:255927?
The CAS number of RefChem:255927 is 588692-38-0.
What is the molecular formula of RefChem:255927?
The molecular formula of RefChem:255927 is C19H22ClN3O3S.
What is the molecular weight of RefChem:255927?
The molecular weight of RefChem:255927 is 407.11 g/mol.
Where can I buy RefChem:255927?
You can request a quote for RefChem:255927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:255927?
Yes, KEHONG BIO provides custom synthesis services for RefChem:255927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.