Rosmaricine
TL;DR: Rosmaricine (CAS 3650-11-1) is a chemical compound with molecular formula C20H27NO4 and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Also Known As: Rosmaricine, 8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one, 8-amino-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one
| Molecular Formula | C20H27NO4 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.194 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 3650-11-1 |
|---|---|
| SMILES | CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)N)O)O |
| InChIKey | NFXKGLBUURRKEA-UHFFFAOYSA-N |
Product Overview
Rosmaricine (CAS 3650-11-1), with molecular formula C20H27NO4 and molecular weight 345.19 g/mol. IUPAC: 8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one.
Chemical Property Profile of Rosmaricine
Property Insights of Rosmaricine
The XLogP value of 3.2 indicates that Rosmaricine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Rosmaricine. Following Lipinski's Rule of Five, Rosmaricine has 3 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 Rosmaricine?
The CAS number of Rosmaricine is 3650-11-1.
What is the molecular formula of Rosmaricine?
The molecular formula of Rosmaricine is C20H27NO4.
What is the molecular weight of Rosmaricine?
The molecular weight of Rosmaricine is 345.19 g/mol.
Where can I buy Rosmaricine?
You can request a quote for Rosmaricine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rosmaricine?
Yes, KEHONG BIO provides custom synthesis services for Rosmaricine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.