RefChem:1075224
TL;DR: RefChem:1075224 (CAS 71125-18-3) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide
Also Known As: 2-(7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-ylidene)acetamide, Acetamide, 2-(7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-ylidene)-, 7-Chlor-1-methyl-2-carbamoylmethylen-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin [German], 7-Chlor-1-methyl-2-carbamoylmethylen-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin, (2E)-2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.9964 |
| Topological Polar Surface Area | 58.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 812.27136 |
Chemical Identifiers
| CAS Number | 71125-18-3 |
|---|---|
| SMILES | CN1/C(=C/C(=O)N)/CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 |
Product Overview
RefChem:1075224 (CAS 71125-18-3), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: (2E)-2-(7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)acetamide.
Chemical Property Profile of RefChem:1075224
Property Insights of RefChem:1075224
The XLogP value of 2.9964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075224. With a topological polar surface area (TPSA) of 58.69 Ų, RefChem:1075224 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1075224 has 1 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 RefChem:1075224?
The CAS number of RefChem:1075224 is 71125-18-3.
What is the molecular formula of RefChem:1075224?
The molecular formula of RefChem:1075224 is C18H16ClN3O.
What is the molecular weight of RefChem:1075224?
The molecular weight of RefChem:1075224 is 325.10 g/mol.
Where can I buy RefChem:1075224?
You can request a quote for RefChem:1075224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075224?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.