奥柯紫堇碱
TL;DR: 奥柯紫堇碱 (CAS 4959-88-0) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥柯紫堇碱
4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Also Known As: 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine, NCIOpen2_004793, 4-(1,3-Benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, 4-(2H-1,3-benzodioxol-5-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine, 1h-imidazo[4,5-c]pyridine, 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 4959-88-0 |
|---|---|
| SMILES | C1CNC(C2=C1NC=N2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | UIXFLQKJUPTGRF-UHFFFAOYSA-N |
Product Overview
奥柯紫堇碱 (CAS 4959-88-0), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
Chemical Property Profile of 奥柯紫堇碱
Property Insights of 奥柯紫堇碱
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 奥柯紫堇碱. With a topological polar surface area (TPSA) of 59.2 Ų, 奥柯紫堇碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥柯紫堇碱 has 2 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 奥柯紫堇碱?
The CAS number of 奥柯紫堇碱 is 4959-88-0.
What is the molecular formula of 奥柯紫堇碱?
The molecular formula of 奥柯紫堇碱 is C13H13N3O2.
What is the molecular weight of 奥柯紫堇碱?
The molecular weight of 奥柯紫堇碱 is 243.10 g/mol.
Where can I buy 奥柯紫堇碱?
You can request a quote for 奥柯紫堇碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥柯紫堇碱?
Yes, KEHONG BIO provides custom synthesis services for 奥柯紫堇碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.