Conodurine
TL;DR: Conodurine (CAS 2665-57-8) is a chemical compound with molecular formula C43H52N4O5 and molecular weight 704.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 17-ethyl-5-(15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: Conodurine, CONODURINE B640243K102, 13-Methoxy-14-[(3R)-17-methoxy-17-oxovobasan-3alpha-yl]ibogamine-18-carboxylic acid methyl ester, methyl 17-ethyl-5-[(15Z)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
| Molecular Formula | C43H52N4O5 |
|---|---|
| Molecular Weight | 704.39 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 704.3938 |
| Heavy Atoms | 52 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 2665-57-8 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)OC)C(=O)OC |
| InChIKey | QJHYXWBJZHUJGS-UHFFFAOYSA-N |
Product Overview
Conodurine (CAS 2665-57-8), with molecular formula C43H52N4O5 and molecular weight 704.39 g/mol. IUPAC: methyl 17-ethyl-5-(15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.
Chemical Property Profile of Conodurine
Property Insights of Conodurine
The XLogP value of 6.1 indicates that Conodurine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Conodurine. Following Lipinski's Rule of Five, Conodurine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Conodurine?
The CAS number of Conodurine is 2665-57-8.
What is the molecular formula of Conodurine?
The molecular formula of Conodurine is C43H52N4O5.
What is the molecular weight of Conodurine?
The molecular weight of Conodurine is 704.39 g/mol.
Where can I buy Conodurine?
You can request a quote for Conodurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Conodurine?
Yes, KEHONG BIO provides custom synthesis services for Conodurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.