1-Demethyl-4'-chlorodiazepam
TL;DR: 1-Demethyl-4'-chlorodiazepam (CAS 5571-60-8) is a chemical compound with molecular formula C15H10Cl2N2O and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: Desmethyl-4'-chlorodiazepam, 1-Demethyl-4'-chlorodiazepam, J1.148.886B, Desmethyl-4 inverted exclamation marka-chlorodiazepam, 7-Chloro-5-(4-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C15H10Cl2N2O |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.01703 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 5571-60-8 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl |
| InChIKey | XKAHDJVCUSNHTE-UHFFFAOYSA-N |
Product Overview
1-Demethyl-4'-chlorodiazepam (CAS 5571-60-8), with molecular formula C15H10Cl2N2O and molecular weight 304.02 g/mol. IUPAC: 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 1-Demethyl-4'-chlorodiazepam
Property Insights of 1-Demethyl-4'-chlorodiazepam
The XLogP value of 3.4 indicates that 1-Demethyl-4'-chlorodiazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 1-Demethyl-4'-chlorodiazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Demethyl-4'-chlorodiazepam has 1 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 1-Demethyl-4'-chlorodiazepam?
The CAS number of 1-Demethyl-4'-chlorodiazepam is 5571-60-8.
What is the molecular formula of 1-Demethyl-4'-chlorodiazepam?
The molecular formula of 1-Demethyl-4'-chlorodiazepam is C15H10Cl2N2O.
What is the molecular weight of 1-Demethyl-4'-chlorodiazepam?
The molecular weight of 1-Demethyl-4'-chlorodiazepam is 304.02 g/mol.
Where can I buy 1-Demethyl-4'-chlorodiazepam?
You can request a quote for 1-Demethyl-4'-chlorodiazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Demethyl-4'-chlorodiazepam?
Yes, KEHONG BIO provides custom synthesis services for 1-Demethyl-4'-chlorodiazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.