氯化小檗碱
TL;DR: 氯化小檗碱 (CAS 633-65-8) is a chemical compound with molecular formula C20H18ClNO4 and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化小檗碱
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride
Also Known As: berberine chloride, Berberine hydrochloride, Berberine HCl, berberine, Benzodioxide
| Molecular Formula | C20H18ClNO4 |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.09244 |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 633-65-8 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-] |
| InChIKey | VKJGBAJNNALVAV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化小檗碱 (CAS 633-65-8), with molecular formula C20H18ClNO4 and molecular weight 371.09 g/mol. IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene chloride.
Chemical Property Profile of 氯化小檗碱
Property Insights of 氯化小檗碱
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化小檗碱. With a topological polar surface area (TPSA) of 40.8 Ų, 氯化小檗碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化小檗碱 has 0 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 氯化小檗碱?
The CAS number of 氯化小檗碱 is 633-65-8.
What is the molecular formula of 氯化小檗碱?
The molecular formula of 氯化小檗碱 is C20H18ClNO4.
What is the molecular weight of 氯化小檗碱?
The molecular weight of 氯化小檗碱 is 371.09 g/mol.
Where can I buy 氯化小檗碱?
You can request a quote for 氯化小檗碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化小檗碱?
Yes, KEHONG BIO provides custom synthesis services for 氯化小檗碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.