Cotarnine chloride
TL;DR: Cotarnine chloride (CAS 82-53-1) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: Cotarnine chloride, 5-chloro-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-, 1,5-g]isoquinoline, 5-chloro-5,6,7,8-tetrahydro-4-methoxy-6-methyl-, 5-Chloro-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 5-Chloro-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 82-53-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1Cl)OC)OCO3 |
| InChIKey | HPBRMFQOXRVCHD-UHFFFAOYSA-N |
Product Overview
Cotarnine chloride (CAS 82-53-1), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: 5-chloro-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of Cotarnine chloride
Property Insights of Cotarnine chloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cotarnine chloride. With a topological polar surface area (TPSA) of 30.9 Ų, Cotarnine chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cotarnine chloride has 0 hydrogen bond donor(s) and 4 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 Cotarnine chloride?
The CAS number of Cotarnine chloride is 82-53-1.
What is the molecular formula of Cotarnine chloride?
The molecular formula of Cotarnine chloride is C12H14ClNO3.
What is the molecular weight of Cotarnine chloride?
The molecular weight of Cotarnine chloride is 255.07 g/mol.
Where can I buy Cotarnine chloride?
You can request a quote for Cotarnine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cotarnine chloride?
Yes, KEHONG BIO provides custom synthesis services for Cotarnine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.