益母草碱
TL;DR: 益母草碱 (CAS 7097-09-8) is a chemical compound with molecular formula C14H21N3O5 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
益母草碱
4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate
Also Known As: Leonurine, Leonurine hydrochloride, Norboldine, Leonurine?, 4-Guanidino-n-butyl syringate
| Molecular Formula | C14H21N3O5 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 311.14813 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 7097-09-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N |
| InChIKey | WNGSUWLDMZFYNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
益母草碱 (CAS 7097-09-8), with molecular formula C14H21N3O5 and molecular weight 311.15 g/mol. IUPAC: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate.
Chemical Property Profile of 益母草碱
Property Insights of 益母草碱
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 益母草碱. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 益母草碱. Following Lipinski's Rule of Five, 益母草碱 has 3 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 益母草碱?
The CAS number of 益母草碱 is 7097-09-8.
What is the molecular formula of 益母草碱?
The molecular formula of 益母草碱 is C14H21N3O5.
What is the molecular weight of 益母草碱?
The molecular weight of 益母草碱 is 311.15 g/mol.
Where can I buy 益母草碱?
You can request a quote for 益母草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 益母草碱?
Yes, KEHONG BIO provides custom synthesis services for 益母草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.