5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate
TL;DR: 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate (CAS 94887-71-5) is a chemical compound with molecular formula C13H12Cl2N2O5S and molecular weight 377.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-amino-5-[(4-amino-3-chloro-5-hydroxyphenyl)methyl]-3-chlorophenyl] hydrogen sulfate
Also Known As: OH-MBOCA, 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate, 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5'-sulfate, [2-amino-5-[(4-amino-3-chloro-5-hydroxyphenyl)methyl]-3-chlorophenyl] hydrogen sulfate, Phenol, 2-amino-5-((4-amino-3-chloro-5-hydroxyphenyl)methyl)-3-chloro-, (11beta,17alpha,20E)-
| Molecular Formula | C13H12Cl2N2O5S |
|---|---|
| Molecular Weight | 377.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.9844 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 94887-71-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)N)Cl)CC2=CC(=C(C(=C2)Cl)N)OS(=O)(=O)O |
| InChIKey | SJQPCKVDKVTPGZ-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate (CAS 94887-71-5), with molecular formula C13H12Cl2N2O5S and molecular weight 377.98 g/mol. IUPAC: [2-amino-5-[(4-amino-3-chloro-5-hydroxyphenyl)methyl]-3-chlorophenyl] hydrogen sulfate.
Chemical Property Profile of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate
Property Insights of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate. The TPSA of 144.0 Ų indicates high polarity, suggesting 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate has 4 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 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate?
The CAS number of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate is 94887-71-5.
What is the molecular formula of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate?
The molecular formula of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate is C13H12Cl2N2O5S.
What is the molecular weight of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate?
The molecular weight of 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate is 377.98 g/mol.
Where can I buy 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate?
You can request a quote for 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-3,3'-dichloro-4,4'-diaminodiphenylmethane-5-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.