海罂粟碱
TL;DR: 海罂粟碱 (CAS 550-10-7) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海罂粟碱
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: Hydrocotarnine, Hydrocotarnin, Hydrocotarnine hydrobromide, Spectrum2_001393, Spectrum3_001433
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
| Melting Point | 55.5 - 56.5 °C |
Chemical Identifiers
| CAS Number | 550-10-7 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3 |
| InChIKey | XXANNZJIZQTCBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
海罂粟碱 (CAS 550-10-7), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 海罂粟碱
Property Insights of 海罂粟碱
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 海罂粟碱. With a topological polar surface area (TPSA) of 30.9 Ų, 海罂粟碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocotarnine has 0 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 Hydrocotarnine?
The CAS number of Hydrocotarnine is 550-10-7.
What is the molecular formula of Hydrocotarnine?
The molecular formula of Hydrocotarnine is C12H15NO3.
What is the molecular weight of Hydrocotarnine?
The molecular weight of Hydrocotarnine is 221.11 g/mol.
Where can I buy Hydrocotarnine?
You can request a quote for Hydrocotarnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocotarnine?
Yes, KEHONG BIO provides custom synthesis services for Hydrocotarnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.