RefChem:328000
TL;DR: RefChem:328000 (CAS 97776-19-7) is a chemical compound with molecular formula C13H17Cl2N3O and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-chloro-5-[2-(cyclobutylamino)-1-hydroxyethyl]benzonitrile;hydrochloride
Also Known As: 2-Amino-3-chloro-5-(2-(cyclobutylamino)-1-hydroxyethyl)benzonitrile hydrochloride, 1-(4-Amino-3-chlor-5-cyan-phenyl)-2-cyclobutylamino-aethanol-hydrochlorid [German], Benzonitrile, 2-amino-3-chloro-5-(2-(cyclobutylamino)-1-hydroxyethyl)-, hydrochloride, 1-(4-Amino-3-chlor-5-cyan-phenyl)-2-cyclobutylamino-aethanol-hydrochlorid, 2-amino-3-chloro-5-[2-(cyclobutylamino)-1-hydroxyethyl]benzonitrile hydrochloride
| Molecular Formula | C13H17Cl2N3O |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.39118 |
| Topological Polar Surface Area | 82.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07486 |
| Heavy Atoms | 19 |
| Complexity | 483.51205 |
Chemical Identifiers
| CAS Number | 97776-19-7 |
|---|---|
| SMILES | C1CC(C1)NCC(C2=CC(=C(C(=C2)Cl)N)C#N)O.Cl |
Product Overview
RefChem:328000 (CAS 97776-19-7), with molecular formula C13H17Cl2N3O and molecular weight 301.07 g/mol. IUPAC: 2-amino-3-chloro-5-[2-(cyclobutylamino)-1-hydroxyethyl]benzonitrile;hydrochloride.
Chemical Property Profile of RefChem:328000
Property Insights of RefChem:328000
The XLogP value of 2.39118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328000. The TPSA of 82.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328000. Following Lipinski's Rule of Five, RefChem:328000 has 3 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 RefChem:328000?
The CAS number of RefChem:328000 is 97776-19-7.
What is the molecular formula of RefChem:328000?
The molecular formula of RefChem:328000 is C13H17Cl2N3O.
What is the molecular weight of RefChem:328000?
The molecular weight of RefChem:328000 is 301.07 g/mol.
Where can I buy RefChem:328000?
You can request a quote for RefChem:328000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.