栗涩素
TL;DR: 栗涩素 (CAS 36001-47-5) is a chemical compound with molecular formula C41H26O26 and molecular weight 934.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
栗涩素
(46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
Also Known As: Vescalagin, hexadecahydroxy[?]pentone, (46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
| Molecular Formula | C41H26O26 |
|---|---|
| Molecular Weight | 934.07 g/mol |
| LogP | 1.318 |
| Topological Polar Surface Area | 455.18 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 0 |
| Exact Mass | 934.0712 |
| Heavy Atoms | 67 |
| Complexity | 3187.8467 |
Chemical Identifiers
| CAS Number | 36001-47-5 |
|---|---|
| SMILES | C1C2C(C3C4[C@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
Product Overview
栗涩素 (CAS 36001-47-5), with molecular formula C41H26O26 and molecular weight 934.07 g/mol. IUPAC: (46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone.
Chemical Property Profile of 栗涩素
Property Insights of 栗涩素
The XLogP value of 1.318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 栗涩素. The TPSA of 455.18 Ų indicates high polarity, suggesting 栗涩素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 栗涩素 has 16 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 栗涩素?
The CAS number of 栗涩素 is 36001-47-5.
What is the molecular formula of 栗涩素?
The molecular formula of 栗涩素 is C41H26O26.
What is the molecular weight of 栗涩素?
The molecular weight of 栗涩素 is 934.07 g/mol.
Where can I buy 栗涩素?
You can request a quote for 栗涩素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 栗涩素?
Yes, KEHONG BIO provides custom synthesis services for 栗涩素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.