延胡索乙素
TL;DR: 延胡索乙素 (CAS 483-14-7) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
延胡索乙素
(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Also Known As: Rotundine, tetrahydropalmatine, l-Tetrahydropalmatine, Gindarine, Hyndarine
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 483-14-7 |
|---|---|
| SMILES | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| InChIKey | AEQDJSLRWYMAQI-KRWDZBQOSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
延胡索乙素 (CAS 483-14-7), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline.
Chemical Property Profile of 延胡索乙素
Property Insights of 延胡索乙素
The XLogP value of 3.2 indicates that 延胡索乙素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, 延胡索乙素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 延胡索乙素 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 延胡索乙素?
The CAS number of 延胡索乙素 is 483-14-7.
What is the molecular formula of 延胡索乙素?
The molecular formula of 延胡索乙素 is C21H25NO4.
What is the molecular weight of 延胡索乙素?
The molecular weight of 延胡索乙素 is 355.18 g/mol.
Where can I buy 延胡索乙素?
You can request a quote for 延胡索乙素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 延胡索乙素?
Yes, KEHONG BIO provides custom synthesis services for 延胡索乙素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.