RefChem:297516
TL;DR: RefChem:297516 (CAS 99640-35-4) is a chemical compound with molecular formula C31H25NO4 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-benzoyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl) benzoate
Also Known As: 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, dibenzoate (ester), 5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diol dibenzoate (ester), 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl dibenzoate, RefChem:297516
| Molecular Formula | C31H25NO4 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.17834 |
| Heavy Atoms | 36 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 99640-35-4 |
|---|---|
| SMILES | CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | VBPQTDKFLRFHSL-UHFFFAOYSA-N |
Product Overview
RefChem:297516 (CAS 99640-35-4), with molecular formula C31H25NO4 and molecular weight 475.18 g/mol. IUPAC: (11-benzoyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl) benzoate.
Chemical Property Profile of RefChem:297516
Property Insights of RefChem:297516
The XLogP value of 5.8 indicates that RefChem:297516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, RefChem:297516 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297516 has 0 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 RefChem:297516?
The CAS number of RefChem:297516 is 99640-35-4.
What is the molecular formula of RefChem:297516?
The molecular formula of RefChem:297516 is C31H25NO4.
What is the molecular weight of RefChem:297516?
The molecular weight of RefChem:297516 is 475.18 g/mol.
Where can I buy RefChem:297516?
You can request a quote for RefChem:297516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297516?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.