ChemDiv1_028537
TL;DR: ChemDiv1_028537 (CAS 330178-50-2) is a chemical compound with molecular formula C30H30BrNO5 and molecular weight 563.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-bromo-4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetate
Also Known As: ChemDiv1_028537, BAS 00652684, BIM-0027715.P001, A1687/0072055, ethyl [5-bromo-4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetate
| Molecular Formula | C30H30BrNO5 |
|---|---|
| Molecular Weight | 563.13 g/mol |
| LogP | 6.8623 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.13074 |
| Heavy Atoms | 37 |
| Complexity | 1441.4026 |
Chemical Identifiers
| CAS Number | 330178-50-2 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C(=C1)Br)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC |
Product Overview
ChemDiv1_028537 (CAS 330178-50-2), with molecular formula C30H30BrNO5 and molecular weight 563.13 g/mol. IUPAC: ethyl 2-[5-bromo-4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetate.
Chemical Property Profile of ChemDiv1_028537
Property Insights of ChemDiv1_028537
The XLogP value of 6.8623 indicates that ChemDiv1_028537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028537. Following Lipinski's Rule of Five, ChemDiv1_028537 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028537?
The CAS number of ChemDiv1_028537 is 330178-50-2.
What is the molecular formula of ChemDiv1_028537?
The molecular formula of ChemDiv1_028537 is C30H30BrNO5.
What is the molecular weight of ChemDiv1_028537?
The molecular weight of ChemDiv1_028537 is 563.13 g/mol.
Where can I buy ChemDiv1_028537?
You can request a quote for ChemDiv1_028537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028537?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.