ChemDiv1_006266
TL;DR: ChemDiv1_006266 (CAS 297159-55-8) is a chemical compound with molecular formula C28H25F3N2O3 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_006266, MixCom6_002406, BAS 02841732, BIM-0047594.P001, J2.677.141B
| Molecular Formula | C28H25F3N2O3 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 6.7021 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.18173 |
| Heavy Atoms | 36 |
| Complexity | 1349.8617 |
Chemical Identifiers
| CAS Number | 297159-55-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)C(F)(F)F)C(=O)C2)OC |
Product Overview
ChemDiv1_006266 (CAS 297159-55-8), with molecular formula C28H25F3N2O3 and molecular weight 494.18 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_006266
Property Insights of ChemDiv1_006266
The XLogP value of 6.7021 indicates that ChemDiv1_006266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, ChemDiv1_006266 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006266 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_006266?
The CAS number of ChemDiv1_006266 is 297159-55-8.
What is the molecular formula of ChemDiv1_006266?
The molecular formula of ChemDiv1_006266 is C28H25F3N2O3.
What is the molecular weight of ChemDiv1_006266?
The molecular weight of ChemDiv1_006266 is 494.18 g/mol.
Where can I buy ChemDiv1_006266?
You can request a quote for ChemDiv1_006266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006266?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.