5-(Phenylsulfonyl)-1,3-benzenediamine
TL;DR: 5-(Phenylsulfonyl)-1,3-benzenediamine (CAS 245652-65-7) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)benzene-1,3-diamine
Also Known As: 5-(phenylsulfonyl)benzene-1,3-diamine, 5-(benzenesulfonyl)benzene-1,3-diamine, 3,5-Diaminophenylphenyl sulfone, 3,5-Diamino[sulfonylbisbenzene], ZERO/006172
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.6838 |
| Topological Polar Surface Area | 86.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 616.5601 |
Chemical Identifiers
| CAS Number | 245652-65-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC(=C2)N)N |
Product Overview
5-(Phenylsulfonyl)-1,3-benzenediamine (CAS 245652-65-7), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 5-(benzenesulfonyl)benzene-1,3-diamine.
Chemical Property Profile of 5-(Phenylsulfonyl)-1,3-benzenediamine
Property Insights of 5-(Phenylsulfonyl)-1,3-benzenediamine
The XLogP value of 1.6838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylsulfonyl)-1,3-benzenediamine. The TPSA of 86.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Phenylsulfonyl)-1,3-benzenediamine. Following Lipinski's Rule of Five, 5-(Phenylsulfonyl)-1,3-benzenediamine has 2 hydrogen bond donor(s) and 4 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-(Phenylsulfonyl)-1,3-benzenediamine?
The CAS number of 5-(Phenylsulfonyl)-1,3-benzenediamine is 245652-65-7.
What is the molecular formula of 5-(Phenylsulfonyl)-1,3-benzenediamine?
The molecular formula of 5-(Phenylsulfonyl)-1,3-benzenediamine is C12H12N2O2S.
What is the molecular weight of 5-(Phenylsulfonyl)-1,3-benzenediamine?
The molecular weight of 5-(Phenylsulfonyl)-1,3-benzenediamine is 248.06 g/mol.
Where can I buy 5-(Phenylsulfonyl)-1,3-benzenediamine?
You can request a quote for 5-(Phenylsulfonyl)-1,3-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylsulfonyl)-1,3-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylsulfonyl)-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.