衡州乌药碱
TL;DR: 衡州乌药碱 (CAS 5444-48-4) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
衡州乌药碱
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Also Known As: Coclaurine, (S)-Coclaurine, Machiline, Coclaurin, (-)-Coclaurine
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 5444-48-4 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O |
| InChIKey | LVVKXRQZSRUVPY-HNNXBMFYSA-N |
Product Overview
衡州乌药碱 (CAS 5444-48-4), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol.
Chemical Property Profile of 衡州乌药碱
Property Insights of 衡州乌药碱
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 衡州乌药碱. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 衡州乌药碱. Following Lipinski's Rule of Five, 衡州乌药碱 has 3 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 衡州乌药碱?
The CAS number of 衡州乌药碱 is 5444-48-4.
What is the molecular formula of 衡州乌药碱?
The molecular formula of 衡州乌药碱 is C17H19NO3.
What is the molecular weight of 衡州乌药碱?
The molecular weight of 衡州乌药碱 is 285.14 g/mol.
Where can I buy 衡州乌药碱?
You can request a quote for 衡州乌药碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 衡州乌药碱?
Yes, KEHONG BIO provides custom synthesis services for 衡州乌药碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.