RefChem:564430
TL;DR: RefChem:564430 (CAS 68400-35-1) is a chemical compound with molecular formula C14H16ClN3O4S and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonic acid;hydrochloride
Also Known As: 4-[azo]benzenesulphonicacidmonohydrochloride, 4-[ azo]benzenesulphonicacidmonohydrochloride, Benzenesulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-, monohydrochloride, 4-((4-Amino-5-methoxy-2-methylphenyl)azo)benzenesulfonic acid, hydrochloride salt, Benzenesulfonic acid, 4-((4-amino-5-methoxy-2-methylphenyl)azo)-, monohydrochloride
| Molecular Formula | C14H16ClN3O4S |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.67 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.055 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 68400-35-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)OC)N.Cl |
| InChIKey | BLQJKDFPGRNLAR-UHFFFAOYSA-N |
Product Overview
RefChem:564430 (CAS 68400-35-1), with molecular formula C14H16ClN3O4S and molecular weight 357.06 g/mol. IUPAC: 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzenesulfonic acid;hydrochloride.
Chemical Property Profile of RefChem:564430
Property Insights of RefChem:564430
The XLogP value of 3.67 indicates that RefChem:564430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:564430. Following Lipinski's Rule of Five, RefChem:564430 has 3 hydrogen bond donor(s) and 7 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 RefChem:564430?
The CAS number of RefChem:564430 is 68400-35-1.
What is the molecular formula of RefChem:564430?
The molecular formula of RefChem:564430 is C14H16ClN3O4S.
What is the molecular weight of RefChem:564430?
The molecular weight of RefChem:564430 is 357.06 g/mol.
Where can I buy RefChem:564430?
You can request a quote for RefChem:564430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.