Vaccarin B
TL;DR: Vaccarin B (CAS 164991-91-7) is a chemical compound with molecular formula C37H49N7O8 and molecular weight 719.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dibenzyl-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Also Known As: Vaccarin B, SEGETALIN D, 12,18-Dibenzyl-1,4,7,10,13,16-hexahydroxy-9-(hydroxymethyl)-15-methyl-6-(2-methylpropyl)-3,6,9,12,15,18,21,22,23,23a-decahydro-19H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-19-one, 3,9-dibenzyl-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
| Molecular Formula | C37H49N7O8 |
|---|---|
| Molecular Weight | 719.36 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 719.36426 |
| Heavy Atoms | 52 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 164991-91-7 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CO)CC(C)C)CC4=CC=CC=C4 |
| InChIKey | VYIVDIARTLHCNH-UHFFFAOYSA-N |
Product Overview
Vaccarin B (CAS 164991-91-7), with molecular formula C37H49N7O8 and molecular weight 719.36 g/mol. IUPAC: 3,9-dibenzyl-12-(hydroxymethyl)-6-methyl-15-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone.
Chemical Property Profile of Vaccarin B
Property Insights of Vaccarin B
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vaccarin B. The TPSA of 215.0 Ų indicates high polarity, suggesting Vaccarin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vaccarin B has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vaccarin B?
The CAS number of Vaccarin B is 164991-91-7.
What is the molecular formula of Vaccarin B?
The molecular formula of Vaccarin B is C37H49N7O8.
What is the molecular weight of Vaccarin B?
The molecular weight of Vaccarin B is 719.36 g/mol.
Where can I buy Vaccarin B?
You can request a quote for Vaccarin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vaccarin B?
Yes, KEHONG BIO provides custom synthesis services for Vaccarin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.