Limbritol
TL;DR: Limbritol (CAS 51248-68-1) is a chemical compound with molecular formula C36H37ClN4O and molecular weight 576.27 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;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Also Known As: Limbitrol, Limbritol, chlordiazepoxide, DEA No. 2744, Amitriptyline mixture with Chlordiazepoxide
| Molecular Formula | C36H37ClN4O |
|---|---|
| Molecular Weight | 576.27 g/mol |
| LogP | 6.0178 |
| Topological Polar Surface Area | 51.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 576.26556 |
| Heavy Atoms | 42 |
| Complexity | 911.0 |
Chemical Identifiers
| CAS Number | 51248-68-1 |
|---|---|
| SMILES | CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 |
| InChIKey | HWUQNMWCGWKUCY-UHFFFAOYSA-N |
Product Overview
Limbritol (CAS 51248-68-1), with molecular formula C36H37ClN4O and molecular weight 576.27 g/mol. IUPAC: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.
Chemical Property Profile of Limbritol
Property Insights of Limbritol
The XLogP value of 6.0178 indicates that Limbritol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.4 Ų, Limbritol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Limbritol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Limbritol?
The CAS number of Limbritol is 51248-68-1.
What is the molecular formula of Limbritol?
The molecular formula of Limbritol is C36H37ClN4O.
What is the molecular weight of Limbritol?
The molecular weight of Limbritol is 576.27 g/mol.
Where can I buy Limbritol?
You can request a quote for Limbritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Limbritol?
Yes, KEHONG BIO provides custom synthesis services for Limbritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.