染木蓝碱
TL;DR: 染木蓝碱 (CAS 33023-11-9) is a chemical compound with molecular formula C15H20N2O and molecular weight 244.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
染木蓝碱
(1S,9R,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: Tinctorine, (-)-Tinctorine, (1S,9R,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, (1S,4R,5R)-3-Methyl-4-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, (1S,9R,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo(7.3.1.02,7)trideca-2,4-dien-6-one
| Molecular Formula | C15H20N2O |
|---|---|
| Molecular Weight | 244.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.15756 |
| Heavy Atoms | 18 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 33023-11-9 |
|---|---|
| SMILES | CN1C[C@@H]2C[C@@H]([C@H]1CC=C)CN3C2=CC=CC3=O |
| InChIKey | VUJISNFQYSHCGH-YNEHKIRRSA-N |
Product Overview
染木蓝碱 (CAS 33023-11-9), with molecular formula C15H20N2O and molecular weight 244.16 g/mol. IUPAC: (1S,9R,10R)-11-methyl-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of 染木蓝碱
Property Insights of 染木蓝碱
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 染木蓝碱. With a topological polar surface area (TPSA) of 23.6 Ų, 染木蓝碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 染木蓝碱 has 0 hydrogen bond donor(s) and 2 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 染木蓝碱?
The CAS number of 染木蓝碱 is 33023-11-9.
What is the molecular formula of 染木蓝碱?
The molecular formula of 染木蓝碱 is C15H20N2O.
What is the molecular weight of 染木蓝碱?
The molecular weight of 染木蓝碱 is 244.16 g/mol.
Where can I buy 染木蓝碱?
You can request a quote for 染木蓝碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 染木蓝碱?
Yes, KEHONG BIO provides custom synthesis services for 染木蓝碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.