![3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/876/876667-84-4.png)
3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 876667-84-4) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 12534421, 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-Methoxy-phenyl)-2,3,4,5-tetrahydro-dibenzo[b,e][1,4]diazepin-1-one, 3-(4-methoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 9-(4-methoxyphenyl)-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C20H18N2O2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 4.2238 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.13684 |
| Heavy Atoms | 24 |
| Complexity | 850.1975 |
Chemical Identifiers
| CAS Number | 876667-84-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C=NC4=CC=CC=C4N3)C(=O)C2 |
Product Overview
3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 876667-84-4), with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol. IUPAC: 9-(4-methoxyphenyl)-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 4.2238 indicates that 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 1 hydrogen bond donor(s) and 4 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 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 876667-84-4.
What is the molecular formula of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C20H18N2O2.
What is the molecular weight of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 318.14 g/mol.
Where can I buy 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.