5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 73416-95-2) is a chemical compound with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloropropanoyl)-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: ChemDiv1_026184, 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, A2148/0090227, 5-(3-chloropropanoyl)-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 1H-Benzo[b]1,4-diazepin-2(3H)-one, 4,5-dihydro-5-(3-chloropropanoyl)-4-phenyl-
| Molecular Formula | C18H17ClN2O2 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.09787 |
| Heavy Atoms | 23 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 73416-95-2 |
|---|---|
| SMILES | C1C(N(C2=CC=CC=C2NC1=O)C(=O)CCCl)C3=CC=CC=C3 |
| InChIKey | VAXKOWJBFYUAFB-UHFFFAOYSA-N |
Product Overview
5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 73416-95-2), with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol. IUPAC: 5-(3-chloropropanoyl)-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 49.4 Ų, 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one 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 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 73416-95-2.
What is the molecular formula of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C18H17ClN2O2.
What is the molecular weight of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 328.10 g/mol.
Where can I buy 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chloropropanoyl)-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.