2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one
TL;DR: 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one (CAS 140845-45-0) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one
Also Known As: 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one, 1,5-Ethano-2H-1,5-benzodiazepin-3 -one, 1,5-Ethano-2H-1,5-benzodiazepin-3(4H)-one, 1,5-Ethano-2H-1,5-benzodiazepin-3(4H)-one(9CI), Benzo(f)-1,5-diazabicyclo(3,2,2)nonen-3-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 140845-45-0 |
|---|---|
| SMILES | C1CN2CC(=O)CN1C3=CC=CC=C32 |
| InChIKey | MDZCFBXNVPYNTR-UHFFFAOYSA-N |
Product Overview
2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one (CAS 140845-45-0), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 1,8-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one.
Chemical Property Profile of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one
Property Insights of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one. With a topological polar surface area (TPSA) of 23.6 Ų, 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one 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 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one?
The CAS number of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one is 140845-45-0.
What is the molecular formula of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one?
The molecular formula of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one is C11H12N2O.
What is the molecular weight of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one?
The molecular weight of 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one is 188.09 g/mol.
Where can I buy 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one?
You can request a quote for 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Ethano-1,5-benzodiazepin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.