CBS-1114 hydrochloride
TL;DR: CBS-1114 hydrochloride (CAS 33244-00-7) is a chemical compound with molecular formula C13H14ClN3 and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-anilinobenzenecarboximidamide;hydrochloride
Also Known As: CBS-1114 hydrochloride, CBS-1114 HCl, N'-Phenylbenzimidohydrazide hydrochloride
| Molecular Formula | C13H14ClN3 |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 2.8408 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08763 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 33244-00-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)N.Cl |
| InChIKey | MEXOQILBPMWGTE-UHFFFAOYSA-N |
Product Overview
CBS-1114 hydrochloride (CAS 33244-00-7), with molecular formula C13H14ClN3 and molecular weight 247.09 g/mol. IUPAC: N'-anilinobenzenecarboximidamide;hydrochloride.
Chemical Property Profile of CBS-1114 hydrochloride
Property Insights of CBS-1114 hydrochloride
The XLogP value of 2.8408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBS-1114 hydrochloride. With a topological polar surface area (TPSA) of 50.4 Ų, CBS-1114 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBS-1114 hydrochloride has 3 hydrogen bond donor(s) and 2 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 CBS-1114 hydrochloride?
The CAS number of CBS-1114 hydrochloride is 33244-00-7.
What is the molecular formula of CBS-1114 hydrochloride?
The molecular formula of CBS-1114 hydrochloride is C13H14ClN3.
What is the molecular weight of CBS-1114 hydrochloride?
The molecular weight of CBS-1114 hydrochloride is 247.09 g/mol.
Where can I buy CBS-1114 hydrochloride?
You can request a quote for CBS-1114 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBS-1114 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for CBS-1114 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.