RefChem:1059404
TL;DR: RefChem:1059404 (CAS 63690-45-9) is a chemical compound with molecular formula C30H35NO10 and molecular weight 569.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]ethanone;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: (-)-3-Methoxy-17-(3,4-methylenedioxy)phenacylmorphinan tartrate, Morphinan, 3-methoxy-17-(3,4-methylenedioxy)phenacyl-, tartrate, (-)-, 2,3-Dihydroxybutanedioic acid--1-(2H-1,3-benzodioxol-5-yl)-2-(3-methoxymorphinan-17-yl)ethan-1-one (1/1), (2R,3R)-2,3-Dihydroxybutanedioic acid--1-(2H-1,3-benzodioxol-5-yl)-2-(3-methoxymorphinan-17-yl)ethan-1-one (1/1), Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(3-methoxymorphinan-17-yl)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
| Molecular Formula | C30H35NO10 |
|---|---|
| Molecular Weight | 569.23 g/mol |
| LogP | 2.2426 |
| Topological Polar Surface Area | 163.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 569.2261 |
| Heavy Atoms | 41 |
| Complexity | 1310.3453 |
Chemical Identifiers
| CAS Number | 63690-45-9 |
|---|---|
| SMILES | COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CC(=O)C5=CC6=C(C=C5)OCO6)C=C1.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
RefChem:1059404 (CAS 63690-45-9), with molecular formula C30H35NO10 and molecular weight 569.23 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(1R,9R,10R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]ethanone;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of RefChem:1059404
Property Insights of RefChem:1059404
The XLogP value of 2.2426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1059404. The TPSA of 163.06 Ų indicates high polarity, suggesting RefChem:1059404 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1059404 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1059404?
The CAS number of RefChem:1059404 is 63690-45-9.
What is the molecular formula of RefChem:1059404?
The molecular formula of RefChem:1059404 is C30H35NO10.
What is the molecular weight of RefChem:1059404?
The molecular weight of RefChem:1059404 is 569.23 g/mol.
Where can I buy RefChem:1059404?
You can request a quote for RefChem:1059404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059404?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.