Conoduramine
TL;DR: Conoduramine (CAS 2580-82-7) 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-7-(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),4,6,8-tetraene-1-carboxylate
Also Known As: Conoduramine, 13-methoxy-12-(16-methoxycarbonyl-17-nor-vobasan-3-yl)-iboga
| 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 | 2580-82-7 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC)OC)C(=O)OC |
| InChIKey | IJKBITBRKHUQJS-UHFFFAOYSA-N |
Product Overview
Conoduramine (CAS 2580-82-7), with molecular formula C43H52N4O5 and molecular weight 704.39 g/mol. IUPAC: methyl 17-ethyl-7-(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),4,6,8-tetraene-1-carboxylate.
Chemical Property Profile of Conoduramine
Property Insights of Conoduramine
The XLogP value of 6.1 indicates that Conoduramine 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 Conoduramine. Following Lipinski's Rule of Five, Conoduramine 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 Conoduramine?
The CAS number of Conoduramine is 2580-82-7.
What is the molecular formula of Conoduramine?
The molecular formula of Conoduramine is C43H52N4O5.
What is the molecular weight of Conoduramine?
The molecular weight of Conoduramine is 704.39 g/mol.
Where can I buy Conoduramine?
You can request a quote for Conoduramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Conoduramine?
Yes, KEHONG BIO provides custom synthesis services for Conoduramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.