Dihydroetorphine hydrochloride
TL;DR: Dihydroetorphine hydrochloride (CAS 155536-45-1) is a chemical compound with molecular formula C25H36ClNO4 and molecular weight 449.23328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,6R,14R,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride
Also Known As: Dihydroetorphine hydrochloride, KST-1A2380, (5, A,18r)-18-[(2r)-2-hydroxypentan-2-yl]-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride(1:1), (4R,6R,7aR,12bS)-6-[(2R)-2-Hydroxypentan-2-yl]-7-methoxy-3-methyl-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C25H36ClNO4 |
| Molecular Weight | 449.23328 g/mol |
| XLogP | 3.8094 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.23328 Da |
| Heavy Atoms | 31 |
| Complexity | 732.0 |
| SMILES | CCC[C@](C)([C@H]1CC23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O.Cl |
| InChIKey | XRHDQSKAXOSHGA-YJDLVULCSA-N |
Chemical Property Profile of Dihydroetorphine hydrochloride
Property Insights of Dihydroetorphine hydrochloride
The XLogP value of 3.8094 indicates that Dihydroetorphine hydrochloride 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 Dihydroetorphine hydrochloride. Following Lipinski's Rule of Five, Dihydroetorphine hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dihydroetorphine hydrochloride?
The CAS number of Dihydroetorphine hydrochloride is 155536-45-1.
What is the molecular formula of Dihydroetorphine hydrochloride?
The molecular formula of Dihydroetorphine hydrochloride is C25H36ClNO4.
What is the molecular weight of Dihydroetorphine hydrochloride?
The molecular weight of Dihydroetorphine hydrochloride is 449.23328 g/mol.
Where can I buy Dihydroetorphine hydrochloride?
You can request a quote for Dihydroetorphine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydroetorphine hydrochloride?
Yes, CoreyChem provides custom synthesis services for Dihydroetorphine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.