4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷
TL;DR: 4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷 (CAS 145225-03-2) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷
4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: oxymorphone, Numorphan, Oxymorphone-d3, Dihydroxymorphinone, Dihydrohydroxymorphinone
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 145225-03-2 |
|---|---|
| SMILES | CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O |
| InChIKey | UQCNKQCJZOAFTQ-UHFFFAOYSA-N |
Product Overview
4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷 (CAS 145225-03-2), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: 4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of 4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷
Property Insights of 4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a,9-二羟基-3-甲基-4,5-环氧-6-氧代阿片烷. Following Lipinski's Rule of Five, 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one 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 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one?
The CAS number of 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one is 145225-03-2.
What is the molecular formula of 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one?
The molecular formula of 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one is C17H19NO4.
What is the molecular weight of 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one?
The molecular weight of 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one is 301.13 g/mol.
Where can I buy 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one?
You can request a quote for 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.