Pterocereine
TL;DR: Pterocereine (CAS 70475-62-6) is a chemical compound with molecular formula C19H29NO9 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl]oxy]oxane-3,4,5-triol
Also Known As: PTEROCEREINE, beta-D-Glucopyranoside, 1,2,3,4-tetrahydro-1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-5-isoquinolinyl, 1-(Hydroxymethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl hexopyranoside, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl]oxy]oxane-3,4,5-triol, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl]oxy}oxane-3,4,5-triol
| Molecular Formula | C19H29NO9 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.18423 |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 70475-62-6 |
|---|---|
| SMILES | CN1CCC2=C(C(=C(C=C2C1CO)OC)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | ANLAXYVKKILUOM-XZHANKDNSA-N |
Product Overview
Pterocereine (CAS 70475-62-6), with molecular formula C19H29NO9 and molecular weight 415.18 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl]oxy]oxane-3,4,5-triol.
Chemical Property Profile of Pterocereine
Property Insights of Pterocereine
The XLogP value of -1.1 indicates that Pterocereine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Pterocereine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pterocereine has 5 hydrogen bond donor(s) and 10 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 Pterocereine?
The CAS number of Pterocereine is 70475-62-6.
What is the molecular formula of Pterocereine?
The molecular formula of Pterocereine is C19H29NO9.
What is the molecular weight of Pterocereine?
The molecular weight of Pterocereine is 415.18 g/mol.
Where can I buy Pterocereine?
You can request a quote for Pterocereine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pterocereine?
Yes, KEHONG BIO provides custom synthesis services for Pterocereine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.