氯化白屈菜赤碱
TL;DR: 氯化白屈菜赤碱 (CAS 30044-85-0) is a chemical compound with molecular formula C21H16ClNO5 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化白屈菜赤碱
15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene chloride
Also Known As: Chelirubine Chloride, Bocconine Chloride, Chelirubin Chloride, 5-Methoxy-13-methyl-, 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene;chloride
| Molecular Formula | C21H16ClNO5 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 0.4407 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.0717 |
| Heavy Atoms | 28 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 30044-85-0 |
|---|---|
| SMILES | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3.[Cl-] |
| InChIKey | METXFOLRORBRGD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化白屈菜赤碱 (CAS 30044-85-0), with molecular formula C21H16ClNO5 and molecular weight 397.07 g/mol. IUPAC: 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene chloride.
Chemical Property Profile of 氯化白屈菜赤碱
Property Insights of 氯化白屈菜赤碱
The XLogP value of 0.4407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化白屈菜赤碱. With a topological polar surface area (TPSA) of 50.0 Ų, 氯化白屈菜赤碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化白屈菜赤碱 has 0 hydrogen bond donor(s) and 6 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 氯化白屈菜赤碱?
The CAS number of 氯化白屈菜赤碱 is 30044-85-0.
What is the molecular formula of 氯化白屈菜赤碱?
The molecular formula of 氯化白屈菜赤碱 is C21H16ClNO5.
What is the molecular weight of 氯化白屈菜赤碱?
The molecular weight of 氯化白屈菜赤碱 is 397.07 g/mol.
Where can I buy 氯化白屈菜赤碱?
You can request a quote for 氯化白屈菜赤碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化白屈菜赤碱?
Yes, KEHONG BIO provides custom synthesis services for 氯化白屈菜赤碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.