Venustatriol
TL;DR: Venustatriol (CAS 105880-10-2) is a chemical compound with molecular formula C30H53BrO7 and molecular weight 604.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol
Also Known As: Venustatriol, (+)-Venustatriol, (1R,4S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol, (1R,4S)-4-((2R,4aS,6R,8aR)-2-((2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano(3,2-b)pyran-6-yl)-1-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl)pentane-1,4-diol, 2,5-Furandimethanol, alpha2-((3S)-3-((2R,4aR,6R,8aS)-6-((2S,5R)-5-bromotetrahydro-2,6,6-trimethyl-2H-pyran-2-yl)octahydro-8a-methylpyrano(3,2-b)pyran-2-yl)-3-hydroxybutyl)tetrahydro-alpha5,alpha5,2-trimethyl-, (alpha2R,2S,5R)-
| Molecular Formula | C30H53BrO7 |
|---|---|
| Molecular Weight | 604.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 604.2975 |
| Heavy Atoms | 38 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 105880-10-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](O[C@@H]1CC[C@@H](O2)[C@](C)(CC[C@H]([C@@]3(CC[C@@H](O3)C(C)(C)O)C)O)O)[C@@]4(CC[C@H](C(O4)(C)C)Br)C |
| InChIKey | IFHPYSVGNHWKDY-TXODIXIKSA-N |
Product Overview
Venustatriol (CAS 105880-10-2), with molecular formula C30H53BrO7 and molecular weight 604.30 g/mol. IUPAC: (1R,4S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pentane-1,4-diol.
Chemical Property Profile of Venustatriol
Property Insights of Venustatriol
The XLogP value of 3.6 indicates that Venustatriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Venustatriol. Following Lipinski's Rule of Five, Venustatriol 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 Venustatriol?
The CAS number of Venustatriol is 105880-10-2.
What is the molecular formula of Venustatriol?
The molecular formula of Venustatriol is C30H53BrO7.
What is the molecular weight of Venustatriol?
The molecular weight of Venustatriol is 604.30 g/mol.
Where can I buy Venustatriol?
You can request a quote for Venustatriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Venustatriol?
Yes, KEHONG BIO provides custom synthesis services for Venustatriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.