Isopropyldihydromorphinone
TL;DR: Isopropyldihydromorphinone (CAS 63868-38-2) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-7a-propan-2-yl-2,4,4a,5,6,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: Isopropyldihydromorphinone, Morphinone, isopropyldihydro-, 4-27-00-03588 (Beilstein Handbook Reference), Morphinan-6-one, 4,5-alpha-epoxy-3-hydroxy-5-beta-isopropyl-17-methyl-, 3-Hydroxy-17-methyl-5-(propan-2-yl)-4,5-epoxymorphinan-6-one
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 2.6565 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 757.49603 |
Chemical Identifiers
| CAS Number | 63868-38-2 |
|---|---|
| SMILES | CC(C)[C@]12C(=O)CC[C@@H]3[C@]14CCN([C@@H]3CC5=C4C(=C(C=C5)O)O2)C |
Product Overview
Isopropyldihydromorphinone (CAS 63868-38-2), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: (4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-7a-propan-2-yl-2,4,4a,5,6,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of Isopropyldihydromorphinone
Property Insights of Isopropyldihydromorphinone
The XLogP value of 2.6565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyldihydromorphinone. With a topological polar surface area (TPSA) of 49.77 Ų, Isopropyldihydromorphinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyldihydromorphinone has 1 hydrogen bond donor(s) and 4 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 Isopropyldihydromorphinone?
The CAS number of Isopropyldihydromorphinone is 63868-38-2.
What is the molecular formula of Isopropyldihydromorphinone?
The molecular formula of Isopropyldihydromorphinone is C20H25NO3.
What is the molecular weight of Isopropyldihydromorphinone?
The molecular weight of Isopropyldihydromorphinone is 327.18 g/mol.
Where can I buy Isopropyldihydromorphinone?
You can request a quote for Isopropyldihydromorphinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyldihydromorphinone?
Yes, KEHONG BIO provides custom synthesis services for Isopropyldihydromorphinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.