TABERNAMINE
TL;DR: TABERNAMINE (CAS 59626-92-5) is a chemical compound with molecular formula C40H48N4O2 and molecular weight 616.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl)-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Also Known As: TABERNAMINE, Methyl (1R,12R,14S,15E)-12-[(1R,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl]-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
| Molecular Formula | C40H48N4O2 |
|---|---|
| Molecular Weight | 616.38 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 616.37775 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 59626-92-5 |
|---|---|
| SMILES | CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC |
| InChIKey | MTARGWPMLJBYNG-UHFFFAOYSA-N |
Product Overview
TABERNAMINE (CAS 59626-92-5), with molecular formula C40H48N4O2 and molecular weight 616.38 g/mol. IUPAC: methyl 12-(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl)-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate.
Chemical Property Profile of TABERNAMINE
Property Insights of TABERNAMINE
The XLogP value of 6.5 indicates that TABERNAMINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for TABERNAMINE. Following Lipinski's Rule of Five, TABERNAMINE 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 TABERNAMINE?
The CAS number of TABERNAMINE is 59626-92-5.
What is the molecular formula of TABERNAMINE?
The molecular formula of TABERNAMINE is C40H48N4O2.
What is the molecular weight of TABERNAMINE?
The molecular weight of TABERNAMINE is 616.38 g/mol.
Where can I buy TABERNAMINE?
You can request a quote for TABERNAMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TABERNAMINE?
Yes, KEHONG BIO provides custom synthesis services for TABERNAMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.