5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 120192-35-0) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-prop-2-enyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 5-prop-2-enyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, A2210/0093029, 5-prop-2-enyl-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 120192-35-0 |
|---|---|
| SMILES | C=CCN1CCC(=O)NC2=CC=CC=C21 |
| InChIKey | MGHPOLURMLVNJW-UHFFFAOYSA-N |
Product Overview
5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 120192-35-0), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 5-prop-2-enyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 32.3 Ų, 5-allyl-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-allyl-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-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 120192-35-0.
What is the molecular formula of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C12H14N2O.
What is the molecular weight of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 202.11 g/mol.
Where can I buy 5-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-allyl-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-allyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-allyl-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.