17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate
TL;DR: 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate (CAS 82975-76-6) is a chemical compound with molecular formula C22H24ClNO5 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7aS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] 2-chloroacetate
Also Known As: 14-Chloroacetylnaltrexone, KST-1A8695, (5, A)-17-(cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate, 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate
| Molecular Formula | C22H24ClNO5 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1343 |
| Heavy Atoms | 29 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 82975-76-6 |
|---|---|
| SMILES | C1CC1CN2CCC34[C@H]5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)OC(=O)CCl |
| InChIKey | RBLRREDDNIMVKU-PGWLQHKVSA-N |
Product Overview
17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate (CAS 82975-76-6), with molecular formula C22H24ClNO5 and molecular weight 417.13 g/mol. IUPAC: [(7aS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] 2-chloroacetate.
Chemical Property Profile of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate
Property Insights of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate
The XLogP value of 3.1 indicates that 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate. Following Lipinski's Rule of Five, 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate has 1 hydrogen bond donor(s) and 6 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 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate?
The CAS number of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate is 82975-76-6.
What is the molecular formula of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate?
The molecular formula of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate is C22H24ClNO5.
What is the molecular weight of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate?
The molecular weight of 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate is 417.13 g/mol.
Where can I buy 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate?
You can request a quote for 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-4,5-epoxymorphinan-14-yl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.