去甲乌药硷
TL;DR: 去甲乌药硷 (CAS 5843-65-2) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲乌药硷
1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Also Known As: Higenamine, Norcoclaurine, Demethyl-Coclaurine, (+-)-Norcoclaurine, (RS)-norcoclaurine
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
| Melting Point | 242 - 244 °C |
Chemical Identifiers
| CAS Number | 5843-65-2 |
|---|---|
| SMILES | C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O |
| InChIKey | WZRCQWQRFZITDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
去甲乌药硷 (CAS 5843-65-2), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol.
Chemical Property Profile of 去甲乌药硷
Property Insights of 去甲乌药硷
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去甲乌药硷. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 去甲乌药硷. Following Lipinski's Rule of Five, 去甲乌药硷 has 4 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 去甲乌药硷?
The CAS number of 去甲乌药硷 is 5843-65-2.
What is the molecular formula of 去甲乌药硷?
The molecular formula of 去甲乌药硷 is C16H17NO3.
What is the molecular weight of 去甲乌药硷?
The molecular weight of 去甲乌药硷 is 271.12 g/mol.
Where can I buy 去甲乌药硷?
You can request a quote for 去甲乌药硷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲乌药硷?
Yes, KEHONG BIO provides custom synthesis services for 去甲乌药硷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.