氯化防己碱
TL;DR: 氯化防己碱 (CAS 20911-73-3) is a chemical compound with molecular formula C21H26ClNO4 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化防己碱
1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol chloride
Also Known As: Menisperine chloride, Isocorydine methochloride, 6a-alpha-APORPHINIUM, 11-HYDROXY-1,2,10-TRIMETHOXY-6-METHYL-, CHLORIDE, 1,2,10-Trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-6-ium-11-olate--hydrogen chloride (1/1), 1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol;chloride
| Molecular Formula | C21H26ClNO4 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.15503 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 20911-73-3 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C.[Cl-] |
| InChIKey | PAEPOVLQEIALGP-UHFFFAOYSA-N |
Product Overview
氯化防己碱 (CAS 20911-73-3), with molecular formula C21H26ClNO4 and molecular weight 391.16 g/mol. IUPAC: 1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol chloride.
Chemical Property Profile of 氯化防己碱
Property Insights of 氯化防己碱
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化防己碱. With a topological polar surface area (TPSA) of 47.9 Ų, 氯化防己碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化防己碱 has 1 hydrogen bond donor(s) and 5 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 氯化防己碱?
The CAS number of 氯化防己碱 is 20911-73-3.
What is the molecular formula of 氯化防己碱?
The molecular formula of 氯化防己碱 is C21H26ClNO4.
What is the molecular weight of 氯化防己碱?
The molecular weight of 氯化防己碱 is 391.16 g/mol.
Where can I buy 氯化防己碱?
You can request a quote for 氯化防己碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化防己碱?
Yes, KEHONG BIO provides custom synthesis services for 氯化防己碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.