Elaeocarpidine
TL;DR: Elaeocarpidine (CAS 20069-07-2) is a chemical compound with molecular formula C17H21N3 and molecular weight 267.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene
Also Known As: Elaeocarpidine, 1,2,3,3a,5,6,11,11b,12,13-Decahydropyrrolo(2'',1'':2',3')pyrimido(1',6':1,2)pyrido(3,4-b)indole, 3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene ; (+/-)-Elaeocarpidine, 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
| Molecular Formula | C17H21N3 |
|---|---|
| Molecular Weight | 267.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.17355 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 20069-07-2 |
|---|---|
| SMILES | C1CC2N(C1)CCC3N2CCC4=C3NC5=CC=CC=C45 |
| InChIKey | MQDDWIVNNZPOCB-UHFFFAOYSA-N |
Product Overview
Elaeocarpidine (CAS 20069-07-2), with molecular formula C17H21N3 and molecular weight 267.17 g/mol. IUPAC: 3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene.
Chemical Property Profile of Elaeocarpidine
Property Insights of Elaeocarpidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elaeocarpidine. With a topological polar surface area (TPSA) of 22.3 Ų, Elaeocarpidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elaeocarpidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elaeocarpidine?
The CAS number of Elaeocarpidine is 20069-07-2.
What is the molecular formula of Elaeocarpidine?
The molecular formula of Elaeocarpidine is C17H21N3.
What is the molecular weight of Elaeocarpidine?
The molecular weight of Elaeocarpidine is 267.17 g/mol.
Where can I buy Elaeocarpidine?
You can request a quote for Elaeocarpidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elaeocarpidine?
Yes, KEHONG BIO provides custom synthesis services for Elaeocarpidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.