Erythro-canabisine H
TL;DR: Erythro-canabisine H (CAS 403647-08-5) is a chemical compound with molecular formula C28H31NO8 and molecular weight 509.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Also Known As: Cannabisin H, Erythro-canabisine H, J1.816.541D, (E)-3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide, 2-propenamide, 3-[4-[[(1S,2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl]oxy]-3-methoxyphenyl]-N-[2-(4-hydroxyphenyl)ethyl]-, (2E)-
| Molecular Formula | C28H31NO8 |
|---|---|
| Molecular Weight | 509.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 509.20496 |
| Heavy Atoms | 37 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 403647-08-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O[C@@H](CO)[C@H](C3=CC(=C(C=C3)O)OC)O |
| InChIKey | PJAFJMNWVUKNOR-MGBVTPAKSA-N |
Product Overview
Erythro-canabisine H (CAS 403647-08-5), with molecular formula C28H31NO8 and molecular weight 509.20 g/mol. IUPAC: (E)-3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide.
Chemical Property Profile of Erythro-canabisine H
Property Insights of Erythro-canabisine H
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erythro-canabisine H. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Erythro-canabisine H. Following Lipinski's Rule of Five, Erythro-canabisine H has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythro-canabisine H?
The CAS number of Erythro-canabisine H is 403647-08-5.
What is the molecular formula of Erythro-canabisine H?
The molecular formula of Erythro-canabisine H is C28H31NO8.
What is the molecular weight of Erythro-canabisine H?
The molecular weight of Erythro-canabisine H is 509.20 g/mol.
Where can I buy Erythro-canabisine H?
You can request a quote for Erythro-canabisine H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythro-canabisine H?
Yes, KEHONG BIO provides custom synthesis services for Erythro-canabisine H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.