Alletorphine
TL;DR: Alletorphine (CAS 16528-17-9) is a chemical compound with molecular formula C27H35NO4 and molecular weight 437.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-prop-2-enyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Also Known As: Alletorphine, 14-(2-Hydroxypentan-2-yl)-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol, 14-[(2R)-2-Hydroxypentan-2-yl]-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol, 18-[(2r)-2-hydroxypentan-2-yl]-6-methoxy-17-(prop-2-en-1-yl)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
| Molecular Formula | C27H35NO4 |
|---|---|
| Molecular Weight | 437.26 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.25662 |
| Heavy Atoms | 32 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 16528-17-9 |
|---|---|
| SMILES | CCC[C@](C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC=C)OC)O |
| InChIKey | OSQIRUUENNTOQL-MWFGDBNCSA-N |
Product Overview
Alletorphine (CAS 16528-17-9), with molecular formula C27H35NO4 and molecular weight 437.26 g/mol. IUPAC: 19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-prop-2-enyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol.
Chemical Property Profile of Alletorphine
Property Insights of Alletorphine
The XLogP value of 3.8 indicates that Alletorphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Alletorphine. Following Lipinski's Rule of Five, Alletorphine has 2 hydrogen bond donor(s) and 5 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 Alletorphine?
The CAS number of Alletorphine is 16528-17-9.
What is the molecular formula of Alletorphine?
The molecular formula of Alletorphine is C27H35NO4.
What is the molecular weight of Alletorphine?
The molecular weight of Alletorphine is 437.26 g/mol.
Where can I buy Alletorphine?
You can request a quote for Alletorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alletorphine?
Yes, KEHONG BIO provides custom synthesis services for Alletorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.