Deoxophylloerythrin Methyl Ester
TL;DR: Deoxophylloerythrin Methyl Ester (CAS 33902-83-9) is a chemical compound with molecular formula C34H38N4O2 and molecular weight 534.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoate
Also Known As: Deoxophylloerythrin Methyl Ester, 3-Phorbinepropanoic acid, 3,4-didehydro-9,14-diethyl-4,8,13,18-tetramethyl-, methyl ester, 3,4-Didehydro-9,14-diethyl-4,8,13,18-tetramethyl-phorbine-3-propanoic acidme
| Molecular Formula | C34H38N4O2 |
|---|---|
| Molecular Weight | 534.30 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.2995 |
| Heavy Atoms | 40 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 33902-83-9 |
|---|---|
| SMILES | CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)CC5)CCC(=O)OC)C)C)CC)C |
| InChIKey | WHAOBDFBOKXKQT-UHFFFAOYSA-N |
Product Overview
Deoxophylloerythrin Methyl Ester (CAS 33902-83-9), with molecular formula C34H38N4O2 and molecular weight 534.30 g/mol. IUPAC: methyl 3-(11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)propanoate.
Chemical Property Profile of Deoxophylloerythrin Methyl Ester
Property Insights of Deoxophylloerythrin Methyl Ester
The XLogP value of 5.5 indicates that Deoxophylloerythrin Methyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxophylloerythrin Methyl Ester. Following Lipinski's Rule of Five, Deoxophylloerythrin Methyl Ester 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 Deoxophylloerythrin Methyl Ester?
The CAS number of Deoxophylloerythrin Methyl Ester is 33902-83-9.
What is the molecular formula of Deoxophylloerythrin Methyl Ester?
The molecular formula of Deoxophylloerythrin Methyl Ester is C34H38N4O2.
What is the molecular weight of Deoxophylloerythrin Methyl Ester?
The molecular weight of Deoxophylloerythrin Methyl Ester is 534.30 g/mol.
Where can I buy Deoxophylloerythrin Methyl Ester?
You can request a quote for Deoxophylloerythrin Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxophylloerythrin Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Deoxophylloerythrin Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.