Diazepam hydrochloride
TL;DR: Diazepam hydrochloride (CAS 52468-36-7) is a chemical compound with molecular formula C16H14Cl2N2O and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;hydrochloride
Also Known As: Diazepam hydrochloride, Diazepam HCl, EINECS 257-935-4, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-onemonohydrochloride, 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-benzo-1,4-diazepin-2-one monohydrochloride
| Molecular Formula | C16H14Cl2N2O |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 3.5756 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.0483 |
| Heavy Atoms | 21 |
| Complexity | 698.6781 |
Chemical Identifiers
| CAS Number | 52468-36-7 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl |
Product Overview
Diazepam hydrochloride (CAS 52468-36-7), with molecular formula C16H14Cl2N2O and molecular weight 320.05 g/mol. IUPAC: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;hydrochloride.
Chemical Property Profile of Diazepam hydrochloride
Property Insights of Diazepam hydrochloride
The XLogP value of 3.5756 indicates that Diazepam hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, Diazepam hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diazepam hydrochloride has 0 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 Diazepam hydrochloride?
The CAS number of Diazepam hydrochloride is 52468-36-7.
What is the molecular formula of Diazepam hydrochloride?
The molecular formula of Diazepam hydrochloride is C16H14Cl2N2O.
What is the molecular weight of Diazepam hydrochloride?
The molecular weight of Diazepam hydrochloride is 320.05 g/mol.
Where can I buy Diazepam hydrochloride?
You can request a quote for Diazepam hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diazepam hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diazepam hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.