GABUNAMINE
TL;DR: GABUNAMINE (CAS 66086-99-5) is a chemical compound with molecular formula C42H50N4O5 and molecular weight 690.38 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-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: N-DEMETHYLCONODURAMINE B640243K425
| Molecular Formula | C42H50N4O5 |
|---|---|
| Molecular Weight | 690.38 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 690.3781 |
| Heavy Atoms | 51 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 66086-99-5 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)C6CC7C(C(CC8=C6NC9=CC=CC=C89)NCC7=CC)C(=O)OC)OC)C(=O)OC |
| InChIKey | PIUQMWWFBLVDEE-UHFFFAOYSA-N |
Product Overview
GABUNAMINE (CAS 66086-99-5), with molecular formula C42H50N4O5 and molecular weight 690.38 g/mol. IUPAC: methyl 17-ethyl-7-(15-ethylidene-18-methoxycarbonyl-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 GABUNAMINE
Property Insights of GABUNAMINE
The XLogP value of 5.6 indicates that GABUNAMINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for GABUNAMINE. Following Lipinski's Rule of Five, GABUNAMINE has 3 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 GABUNAMINE?
The CAS number of GABUNAMINE is 66086-99-5.
What is the molecular formula of GABUNAMINE?
The molecular formula of GABUNAMINE is C42H50N4O5.
What is the molecular weight of GABUNAMINE?
The molecular weight of GABUNAMINE is 690.38 g/mol.
Where can I buy GABUNAMINE?
You can request a quote for GABUNAMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GABUNAMINE?
Yes, KEHONG BIO provides custom synthesis services for GABUNAMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.