1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride
TL;DR: 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride (CAS 13075-94-0) is a chemical compound with molecular formula C15H18ClNO2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(benzylamino)ethyl]benzene-1,2-diol;hydrochloride
Also Known As: Pyrocatechol, 4-(2-benzylaminoethyl)-, hydrochloride, 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride, Benzyl-3,4-dihydroxy-beta-phenylethylamine hydrochloride, 4-(2-((Phenylmethyl)amino)ethyl)-1,2-benzenediol hydrochloride, 4-[2-(benzylamino)ethyl]benzene-1,2-diol hydrochloride
| Molecular Formula | C15H18ClNO2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.8519 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1026 |
| Heavy Atoms | 19 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 13075-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCC2=CC(=C(C=C2)O)O.Cl |
| InChIKey | HXNCHYNGCFOTGC-UHFFFAOYSA-N |
Product Overview
1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride (CAS 13075-94-0), with molecular formula C15H18ClNO2 and molecular weight 279.10 g/mol. IUPAC: 4-[2-(benzylamino)ethyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride
Property Insights of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride
The XLogP value of 2.8519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 52.5 Ų, 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride has 4 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 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride?
The CAS number of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride is 13075-94-0.
What is the molecular formula of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride?
The molecular formula of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride is C15H18ClNO2.
What is the molecular weight of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride?
The molecular weight of 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride is 279.10 g/mol.
Where can I buy 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride?
You can request a quote for 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-(2-((phenylmethyl)amino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.