RefChem:1059410
TL;DR: RefChem:1059410 (CAS 63867-89-0) is a chemical compound with molecular formula C31H38N2O8 and molecular weight 566.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-dihydroxybutanedioic acid;[(1R,9R,10R)-17-(3-methylbut-2-enyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] pyridine-2-carboxylate
Also Known As: Morphinan-3-ol, 17-(3-methyl-2-butenyl)-, nicotinate (ester), tartrate, (-)-, Morphinan-3-ol, 17-(3-methyl-2-butenyl)-, 3-pyridinecarboxylate (ester), tartrate, (-)-, 2,3-Dihydroxybutanedioic acid--17-(3-methylbut-2-en-1-yl)morphinan-3-yl pyridine-2-carboxylate (1/1), (2R,3R)-2,3-Dihydroxybutanedioic acid--17-(3-methylbut-2-en-1-yl)morphinan-3-yl pyridine-2-carboxylate (1/1), Morphinan-3-ol, 17-(3-methyl-2-butenyl)-, 3-pyridinecarboxylate (ester), [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
| Molecular Formula | C31H38N2O8 |
|---|---|
| Molecular Weight | 566.26 g/mol |
| LogP | 3.2028 |
| Topological Polar Surface Area | 157.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.2628 |
| Heavy Atoms | 41 |
| Complexity | 1274.278 |
Chemical Identifiers
| CAS Number | 63867-89-0 |
|---|---|
| SMILES | CC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC(=O)C5=CC=CC=N5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
RefChem:1059410 (CAS 63867-89-0), with molecular formula C31H38N2O8 and molecular weight 566.26 g/mol. IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;[(1R,9R,10R)-17-(3-methylbut-2-enyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] pyridine-2-carboxylate.
Chemical Property Profile of RefChem:1059410
Property Insights of RefChem:1059410
The XLogP value of 3.2028 indicates that RefChem:1059410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.49 Ų indicates high polarity, suggesting RefChem:1059410 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1059410 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1059410?
The CAS number of RefChem:1059410 is 63867-89-0.
What is the molecular formula of RefChem:1059410?
The molecular formula of RefChem:1059410 is C31H38N2O8.
What is the molecular weight of RefChem:1059410?
The molecular weight of RefChem:1059410 is 566.26 g/mol.
Where can I buy RefChem:1059410?
You can request a quote for RefChem:1059410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059410?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.