BAS 00457667
TL;DR: BAS 00457667 (CAS 331674-69-2) is a chemical compound with molecular formula C25H23NO4 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
Also Known As: BAS 00457667, AB00086687-01, 2,6-dimethoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-6-ium-5-yl)phenolate, 5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2,3,5,6-pentahydrobenzo[a]phenanthridin-4- one, 5-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
| Molecular Formula | C25H23NO4 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 5.236 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.16272 |
| Heavy Atoms | 30 |
| Complexity | 1185.9894 |
Chemical Identifiers
| CAS Number | 331674-69-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54 |
Product Overview
BAS 00457667 (CAS 331674-69-2), with molecular formula C25H23NO4 and molecular weight 401.16 g/mol. IUPAC: 5-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one.
Chemical Property Profile of BAS 00457667
Property Insights of BAS 00457667
The XLogP value of 5.236 indicates that BAS 00457667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00457667. Following Lipinski's Rule of Five, BAS 00457667 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 BAS 00457667?
The CAS number of BAS 00457667 is 331674-69-2.
What is the molecular formula of BAS 00457667?
The molecular formula of BAS 00457667 is C25H23NO4.
What is the molecular weight of BAS 00457667?
The molecular weight of BAS 00457667 is 401.16 g/mol.
Where can I buy BAS 00457667?
You can request a quote for BAS 00457667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00457667?
Yes, KEHONG BIO provides custom synthesis services for BAS 00457667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.