Ervadivaricatine B
TL;DR: Ervadivaricatine B (CAS 204581-20-4) is a chemical compound with molecular formula C43H54N4O5 and molecular weight 706.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,17S,18S)-17-ethyl-6-[(1S,15S,18S)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-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: Ervadivaricatine B, Methyl (6xi)-12-methoxy-13-(17-methoxy-17-oxo-20beta-19,20-dihydrovobasan-3-yl)ibogamine-18-carboxylate, Methyl 12-methoxy-13-(17-methoxy-17-oxo-19,20-dihydrovobasan-3-yl)ibogamine-18-carboxylate
| Molecular Formula | C43H54N4O5 |
|---|---|
| Molecular Weight | 706.41 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 706.4094 |
| Heavy Atoms | 52 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 204581-20-4 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)C6CC7[C@@H](CN([C@H]([C@H]7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)C(=O)OC |
| InChIKey | YBBXESOBDXAWTH-SORPUKNISA-N |
Product Overview
Ervadivaricatine B (CAS 204581-20-4), with molecular formula C43H54N4O5 and molecular weight 706.41 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-ethyl-6-[(1S,15S,18S)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-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 Ervadivaricatine B
Property Insights of Ervadivaricatine B
The XLogP value of 6.9 indicates that Ervadivaricatine B 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 Ervadivaricatine B. Following Lipinski's Rule of Five, Ervadivaricatine B 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 Ervadivaricatine B?
The CAS number of Ervadivaricatine B is 204581-20-4.
What is the molecular formula of Ervadivaricatine B?
The molecular formula of Ervadivaricatine B is C43H54N4O5.
What is the molecular weight of Ervadivaricatine B?
The molecular weight of Ervadivaricatine B is 706.41 g/mol.
Where can I buy Ervadivaricatine B?
You can request a quote for Ervadivaricatine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ervadivaricatine B?
Yes, KEHONG BIO provides custom synthesis services for Ervadivaricatine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.