ChemDiv1_003669
TL;DR: ChemDiv1_003669 (CAS 332861-38-8) is a chemical compound with molecular formula C27H23F3N2O5 and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-9-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003669, BAS 01849521, 6-(3,4-dimethoxyphenyl)-9-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 11-(3,4-DIMETHOXYPHENYL)-3-(2-FURYL)-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H23F3N2O5 |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 5.7597 |
| Topological Polar Surface Area | 81.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.1559 |
| Heavy Atoms | 37 |
| Complexity | 1380.9285 |
Chemical Identifiers
| CAS Number | 332861-38-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CO4)NC5=CC=CC=C5N2C(=O)C(F)(F)F)OC |
Product Overview
ChemDiv1_003669 (CAS 332861-38-8), with molecular formula C27H23F3N2O5 and molecular weight 512.16 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-9-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003669
Property Insights of ChemDiv1_003669
The XLogP value of 5.7597 indicates that ChemDiv1_003669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003669. Following Lipinski's Rule of Five, ChemDiv1_003669 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003669?
The CAS number of ChemDiv1_003669 is 332861-38-8.
What is the molecular formula of ChemDiv1_003669?
The molecular formula of ChemDiv1_003669 is C27H23F3N2O5.
What is the molecular weight of ChemDiv1_003669?
The molecular weight of ChemDiv1_003669 is 512.16 g/mol.
Where can I buy ChemDiv1_003669?
You can request a quote for ChemDiv1_003669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003669?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.