ChemDiv1_021550
TL;DR: ChemDiv1_021550 (CAS 5965-85-5) is a chemical compound with molecular formula C26H23N3O2 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methoxyphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
Also Known As: ChemDiv1_021550, BIM-0012193.P001, A2095/0088034, 6-(3-methoxyphenyl)-5,7-diphenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one, 3(2H)-Benzofuranone, 2-(3,4-dihydroxybenzylidene)-6-hydroxy-, triacetate
| Molecular Formula | C26H23N3O2 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 4.1297 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.17902 |
| Heavy Atoms | 31 |
| Complexity | 1169.526 |
Chemical Identifiers
| CAS Number | 5965-85-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=C4)NCCN=C3C5=CC=CC=C5 |
Product Overview
ChemDiv1_021550 (CAS 5965-85-5), with molecular formula C26H23N3O2 and molecular weight 409.18 g/mol. IUPAC: 6-(3-methoxyphenyl)-5,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one.
Chemical Property Profile of ChemDiv1_021550
Property Insights of ChemDiv1_021550
The XLogP value of 4.1297 indicates that ChemDiv1_021550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, ChemDiv1_021550 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021550 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 ChemDiv1_021550?
The CAS number of ChemDiv1_021550 is 5965-85-5.
What is the molecular formula of ChemDiv1_021550?
The molecular formula of ChemDiv1_021550 is C26H23N3O2.
What is the molecular weight of ChemDiv1_021550?
The molecular weight of ChemDiv1_021550 is 409.18 g/mol.
Where can I buy ChemDiv1_021550?
You can request a quote for ChemDiv1_021550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021550?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.