Grandisin
TL;DR: Grandisin (CAS 5413-13-8) is a chemical compound with molecular formula C24H32O7 and molecular weight 432.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
Also Known As: Grandisin, KST-1A5640, (2s,3s,4s)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran, (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane, (3S,4S,5S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
| Molecular Formula | C24H32O7 |
|---|---|
| Molecular Weight | 432.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.2148 |
| Heavy Atoms | 31 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 5413-13-8 |
|---|---|
| SMILES | C[C@H]1[C@@H](C(O[C@@H]1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C |
| InChIKey | ZPINJJOPURFFNV-ZKMYPSDRSA-N |
Product Overview
Grandisin (CAS 5413-13-8), with molecular formula C24H32O7 and molecular weight 432.21 g/mol. IUPAC: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane.
Chemical Property Profile of Grandisin
Property Insights of Grandisin
The XLogP value of 4.3 indicates that Grandisin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Grandisin. Following Lipinski's Rule of Five, Grandisin has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Grandisin?
The CAS number of Grandisin is 5413-13-8.
What is the molecular formula of Grandisin?
The molecular formula of Grandisin is C24H32O7.
What is the molecular weight of Grandisin?
The molecular weight of Grandisin is 432.21 g/mol.
Where can I buy Grandisin?
You can request a quote for Grandisin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grandisin?
Yes, KEHONG BIO provides custom synthesis services for Grandisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.