5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate
TL;DR: 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate (CAS 46410-78-0) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine;hydrate
Also Known As: 1,2,3,4-Tetrahydro-5H-dibenzo(b,e)(1,4)diazepine hydrate, 5H-DIBENZO(b,e)(1,4)DIAZEPINE, 1,2,3,4-TETRAHYDRO-, HYDRATE, 1H-Dibenzo[b,e][1,4]diazepine, 2,3,4,5-tetrahydro-, 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate, 8,9,10,11-Tetrahydro-7H-benzo[b][1,5]benzodiazepine hydrate
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.82 |
| Topological Polar Surface Area | 25.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 46410-78-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C=NC3=CC=CC=C3N2.O |
| InChIKey | AIEMPFXRFGFAQC-UHFFFAOYSA-N |
Product Overview
5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate (CAS 46410-78-0), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine;hydrate.
Chemical Property Profile of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate
Property Insights of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate
The XLogP value of 2.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate. With a topological polar surface area (TPSA) of 25.4 Ų, 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate has 2 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 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate?
The CAS number of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate is 46410-78-0.
What is the molecular formula of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate?
The molecular formula of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate is C13H16N2O.
What is the molecular weight of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate?
The molecular weight of 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate is 216.13 g/mol.
Where can I buy 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate?
You can request a quote for 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.