Serpentintartrat
TL;DR: Serpentintartrat (CAS 78329-75-6) is a chemical compound with molecular formula C37H46N2O15 and molecular weight 758.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Serpentintartrat, Serpentintartrat [German], SERPENTINE TARTRATE, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), tartrate, Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
| Molecular Formula | C37H46N2O15 |
|---|---|
| Molecular Weight | 758.29 g/mol |
| LogP | 2.0485 |
| Topological Polar Surface Area | 232.84 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 758.2898 |
| Heavy Atoms | 54 |
| Complexity | 1816.8093 |
Chemical Identifiers
| CAS Number | 78329-75-6 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
Serpentintartrat (CAS 78329-75-6), with molecular formula C37H46N2O15 and molecular weight 758.29 g/mol. IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Serpentintartrat
Property Insights of Serpentintartrat
The XLogP value of 2.0485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Serpentintartrat. The TPSA of 232.84 Ų indicates high polarity, suggesting Serpentintartrat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Serpentintartrat has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Serpentintartrat?
The CAS number of Serpentintartrat is 78329-75-6.
What is the molecular formula of Serpentintartrat?
The molecular formula of Serpentintartrat is C37H46N2O15.
What is the molecular weight of Serpentintartrat?
The molecular weight of Serpentintartrat is 758.29 g/mol.
Where can I buy Serpentintartrat?
You can request a quote for Serpentintartrat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Serpentintartrat?
Yes, KEHONG BIO provides custom synthesis services for Serpentintartrat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.