Cyclovirobuxin D
TL;DR: Cyclovirobuxin D (CAS 860-79-7) is a chemical compound with molecular formula C26H46N2O and molecular weight 402.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,8R,11S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
Also Known As: Cyclovirobuxin D, Cyclovirobuxine, Bebuxine, Cyclovirobuxine D, CVB-D
| Molecular Formula | C26H46N2O |
|---|---|
| Molecular Weight | 402.36 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.36102 |
| Heavy Atoms | 29 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 860-79-7 |
|---|---|
| SMILES | C[C@@H]([C@H]1[C@@H](CC2([C@@]1(CCC34[C@H]2CC[C@@H]5C3(C4)CC[C@@H](C5(C)C)NC)C)C)O)NC |
| InChIKey | GMNAPBAUIVITMI-BDKDDEIASA-N |
Product Overview
Cyclovirobuxin D (CAS 860-79-7), with molecular formula C26H46N2O and molecular weight 402.36 g/mol. IUPAC: (6S,8R,11S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol.
Chemical Property Profile of Cyclovirobuxin D
Property Insights of Cyclovirobuxin D
The XLogP value of 5.9 indicates that Cyclovirobuxin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, Cyclovirobuxin D exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclovirobuxin D has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclovirobuxin D?
The CAS number of Cyclovirobuxin D is 860-79-7.
What is the molecular formula of Cyclovirobuxin D?
The molecular formula of Cyclovirobuxin D is C26H46N2O.
What is the molecular weight of Cyclovirobuxin D?
The molecular weight of Cyclovirobuxin D is 402.36 g/mol.
Where can I buy Cyclovirobuxin D?
You can request a quote for Cyclovirobuxin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclovirobuxin D?
Yes, KEHONG BIO provides custom synthesis services for Cyclovirobuxin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.