ChemDiv1_025759
TL;DR: ChemDiv1_025759 (CAS 312504-31-7) is a chemical compound with molecular formula C27H26BrNO3 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_025759, A1912/0080392, 5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, 5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 5-(3-BROMO-5-ETHOXY-4-HYDROXYPHENYL)-2,2-DIMETHYL-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE
| Molecular Formula | C27H26BrNO3 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 7.0161 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.10962 |
| Heavy Atoms | 32 |
| Complexity | 1291.5463 |
Chemical Identifiers
| CAS Number | 312504-31-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)Br)O |
Product Overview
ChemDiv1_025759 (CAS 312504-31-7), with molecular formula C27H26BrNO3 and molecular weight 491.11 g/mol. IUPAC: 5-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_025759
Property Insights of ChemDiv1_025759
The XLogP value of 7.0161 indicates that ChemDiv1_025759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, ChemDiv1_025759 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025759 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025759?
The CAS number of ChemDiv1_025759 is 312504-31-7.
What is the molecular formula of ChemDiv1_025759?
The molecular formula of ChemDiv1_025759 is C27H26BrNO3.
What is the molecular weight of ChemDiv1_025759?
The molecular weight of ChemDiv1_025759 is 491.11 g/mol.
Where can I buy ChemDiv1_025759?
You can request a quote for ChemDiv1_025759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025759?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.