Chlordiazepoxide hydrochloride
TL;DR: Chlordiazepoxide hydrochloride (CAS 438-41-5) is a chemical compound with molecular formula C16H15Cl2N3O and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;hydrochloride
Also Known As: Librium, Clopoxide chloride, Chlordiazachel, Protensin, Calmoden
| Molecular Formula | C16H15Cl2N3O |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 2.27 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.0592 |
| Heavy Atoms | 22 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 438-41-5 |
|---|---|
| SMILES | CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl |
| InChIKey | PRNVHVUEIITLRV-UHFFFAOYSA-N |
Product Overview
Chlordiazepoxide hydrochloride (CAS 438-41-5), with molecular formula C16H15Cl2N3O and molecular weight 335.06 g/mol. IUPAC: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;hydrochloride.
Chemical Property Profile of Chlordiazepoxide hydrochloride
Property Insights of Chlordiazepoxide hydrochloride
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlordiazepoxide hydrochloride. With a topological polar surface area (TPSA) of 48.2 Ų, Chlordiazepoxide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlordiazepoxide hydrochloride has 2 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 Chlordiazepoxide hydrochloride?
The CAS number of Chlordiazepoxide hydrochloride is 438-41-5.
What is the molecular formula of Chlordiazepoxide hydrochloride?
The molecular formula of Chlordiazepoxide hydrochloride is C16H15Cl2N3O.
What is the molecular weight of Chlordiazepoxide hydrochloride?
The molecular weight of Chlordiazepoxide hydrochloride is 335.06 g/mol.
Where can I buy Chlordiazepoxide hydrochloride?
You can request a quote for Chlordiazepoxide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlordiazepoxide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Chlordiazepoxide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.