C19H18ClN3O
TL;DR: C19H18ClN3O (CAS 51752-99-9) is a chemical compound with molecular formula C19H18ClN3O and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-7-chloro-3-(dimethylaminomethylidene)-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
Also Known As: (3E)-7-chloro-3-(dimethylaminomethylidene)-1-methyl-5-phenyl-1,4-benzodiazepin-2-one, (3E)-7-chloro-3-[(dimethylamino)methylidene]-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, (E)-7-chloro-3-((dimethylamino)methylene)-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-Chloro-3-[(dimethylamino)methylene]-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C19H18ClN3O |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 3.5568 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.11383 |
| Heavy Atoms | 24 |
| Complexity | 840.9453 |
Chemical Identifiers
| CAS Number | 51752-99-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=N/C(=C/N(C)C)/C1=O)C3=CC=CC=C3 |
Product Overview
C19H18ClN3O (CAS 51752-99-9), with molecular formula C19H18ClN3O and molecular weight 339.11 g/mol. IUPAC: (3E)-7-chloro-3-(dimethylaminomethylidene)-1-methyl-5-phenyl-1,4-benzodiazepin-2-one.
Chemical Property Profile of C19H18ClN3O
Property Insights of C19H18ClN3O
The XLogP value of 3.5568 indicates that C19H18ClN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, C19H18ClN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H18ClN3O has 0 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 C19H18ClN3O?
The CAS number of C19H18ClN3O is 51752-99-9.
What is the molecular formula of C19H18ClN3O?
The molecular formula of C19H18ClN3O is C19H18ClN3O.
What is the molecular weight of C19H18ClN3O?
The molecular weight of C19H18ClN3O is 339.11 g/mol.
Where can I buy C19H18ClN3O?
You can request a quote for C19H18ClN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18ClN3O?
Yes, KEHONG BIO provides custom synthesis services for C19H18ClN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.