ChemDiv3_004399
TL;DR: ChemDiv3_004399 (CAS 108784-14-1) is a chemical compound with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyphenyl)-6,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
Also Known As: ChemDiv3_004399, IDI1_022309, BRD-A97966089-001-01-5, 5-(4-ethoxyphenyl)-6,7-diphenyl-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one, 5-(4-ethoxyphenyl)-6,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
| Molecular Formula | C27H25N3O2 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 4.5198 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.19467 |
| Heavy Atoms | 32 |
| Complexity | 1168.543 |
Chemical Identifiers
| CAS Number | 108784-14-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NCCNC3=C2C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
ChemDiv3_004399 (CAS 108784-14-1), with molecular formula C27H25N3O2 and molecular weight 423.19 g/mol. IUPAC: 5-(4-ethoxyphenyl)-6,7-diphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one.
Chemical Property Profile of ChemDiv3_004399
Property Insights of ChemDiv3_004399
The XLogP value of 4.5198 indicates that ChemDiv3_004399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, ChemDiv3_004399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004399 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 ChemDiv3_004399?
The CAS number of ChemDiv3_004399 is 108784-14-1.
What is the molecular formula of ChemDiv3_004399?
The molecular formula of ChemDiv3_004399 is C27H25N3O2.
What is the molecular weight of ChemDiv3_004399?
The molecular weight of ChemDiv3_004399 is 423.19 g/mol.
Where can I buy ChemDiv3_004399?
You can request a quote for ChemDiv3_004399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004399?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.