C20H24N2O5.H2O
TL;DR: C20H24N2O5.H2O (CAS 65138-64-9) is a chemical compound with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[(4R,4aR,7aS,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;hydrate
Also Known As: Dihydrocodeinone O-(carboxymethyl)oxime H2O, Dihydrocodeinone 0-(carboxymethyl)oxime monohydrate, Dihydrocodeinone O-(carboxymethyl)oxime monohydrate, Acetic acid, ((((5alpha)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ylidene)amino)oxy)-, monohydrate, Acetic acid, [[[(5.alpha.)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ylidene]amino]oxy]-, monohydrate
| Molecular Formula | C20H26N2O6 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 0.9967 |
| Topological Polar Surface Area | 112.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.17908 |
| Heavy Atoms | 28 |
| Complexity | 840.23 |
Chemical Identifiers
| CAS Number | 65138-64-9 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3/C(=N/OCC(=O)O)/CC4.O |
Product Overview
C20H24N2O5.H2O (CAS 65138-64-9), with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol. IUPAC: 2-[(E)-[(4R,4aR,7aS,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;hydrate.
Chemical Property Profile of C20H24N2O5.H2O
Property Insights of C20H24N2O5.H2O
The XLogP value of 0.9967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H24N2O5.H2O. The TPSA of 112.09 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H24N2O5.H2O. Following Lipinski's Rule of Five, C20H24N2O5.H2O 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 C20H24N2O5.H2O?
The CAS number of C20H24N2O5.H2O is 65138-64-9.
What is the molecular formula of C20H24N2O5.H2O?
The molecular formula of C20H24N2O5.H2O is C20H26N2O6.
What is the molecular weight of C20H24N2O5.H2O?
The molecular weight of C20H24N2O5.H2O is 390.18 g/mol.
Where can I buy C20H24N2O5.H2O?
You can request a quote for C20H24N2O5.H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H24N2O5.H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H24N2O5.H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.