Tox21_300458
TL;DR: Tox21_300458 (CAS 291305-06-1) is a chemical compound with molecular formula C17H18Cl2N2O2S and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Also Known As: Tox21_300458, CAS-291305-06-1, (5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide, (5S,8S)-5-(3,4-dichlorophenyl)-8-methylamino-5,6,7,8-tetrahydronaphthalene-2-sulfonamide, RefChem:386832
| Molecular Formula | C17H18Cl2N2O2S |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 3.827 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0466 |
| Heavy Atoms | 24 |
| Complexity | 884.1544 |
Chemical Identifiers
| CAS Number | 291305-06-1 |
|---|---|
| SMILES | CN[C@H]1CC[C@H](C2=C1C=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
Tox21_300458 (CAS 291305-06-1), with molecular formula C17H18Cl2N2O2S and molecular weight 384.05 g/mol. IUPAC: (5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
Chemical Property Profile of Tox21_300458
Property Insights of Tox21_300458
The XLogP value of 3.827 indicates that Tox21_300458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_300458. Following Lipinski's Rule of Five, Tox21_300458 has 2 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 Tox21_300458?
The CAS number of Tox21_300458 is 291305-06-1.
What is the molecular formula of Tox21_300458?
The molecular formula of Tox21_300458 is C17H18Cl2N2O2S.
What is the molecular weight of Tox21_300458?
The molecular weight of Tox21_300458 is 384.05 g/mol.
Where can I buy Tox21_300458?
You can request a quote for Tox21_300458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_300458?
Yes, KEHONG BIO provides custom synthesis services for Tox21_300458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.