ChemDiv1_020002
TL;DR: ChemDiv1_020002 (CAS 312632-67-0) is a chemical compound with molecular formula C27H27NO4 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: ChemDiv1_020002, BAS 00457657, BIM-0021894.P001, AB00086680-01, A1856/0078130
| Molecular Formula | C27H27NO4 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 5.8721 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.194 |
| Heavy Atoms | 32 |
| Complexity | 1263.0511 |
Chemical Identifiers
| CAS Number | 312632-67-0 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)OC)O)OC)C(=O)C1)C |
Product Overview
ChemDiv1_020002 (CAS 312632-67-0), with molecular formula C27H27NO4 and molecular weight 429.19 g/mol. IUPAC: 5-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of ChemDiv1_020002
Property Insights of ChemDiv1_020002
The XLogP value of 5.8721 indicates that ChemDiv1_020002 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 ChemDiv1_020002. Following Lipinski's Rule of Five, ChemDiv1_020002 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_020002?
The CAS number of ChemDiv1_020002 is 312632-67-0.
What is the molecular formula of ChemDiv1_020002?
The molecular formula of ChemDiv1_020002 is C27H27NO4.
What is the molecular weight of ChemDiv1_020002?
The molecular weight of ChemDiv1_020002 is 429.19 g/mol.
Where can I buy ChemDiv1_020002?
You can request a quote for ChemDiv1_020002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020002?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.