ChemDiv1_019728
TL;DR: ChemDiv1_019728 (CAS 314047-50-2) is a chemical compound with molecular formula C25H23NO2 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_019728, BAS 00549742, AB00090525-01, 5-(3-Hydroxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 5-(3-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
| Molecular Formula | C25H23NO2 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.17288 |
| Heavy Atoms | 28 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 314047-50-2 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)O)C(=O)C1)C |
| InChIKey | XEJKBBJQAVCGCQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019728 (CAS 314047-50-2), with molecular formula C25H23NO2 and molecular weight 369.17 g/mol. IUPAC: 5-(3-hydroxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_019728
Property Insights of ChemDiv1_019728
The XLogP value of 5.1 indicates that ChemDiv1_019728 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, ChemDiv1_019728 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019728 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019728?
The CAS number of ChemDiv1_019728 is 314047-50-2.
What is the molecular formula of ChemDiv1_019728?
The molecular formula of ChemDiv1_019728 is C25H23NO2.
What is the molecular weight of ChemDiv1_019728?
The molecular weight of ChemDiv1_019728 is 369.17 g/mol.
Where can I buy ChemDiv1_019728?
You can request a quote for ChemDiv1_019728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019728?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.