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6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 126961-59-9) is a chemical compound with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, J1.044.151J, 6-chloro-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, AE-848/13197773, 6-CHLORO-3,3,8-TRIMETHYL-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
| Molecular Formula | C12H13ClN2O |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.07164 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 126961-59-9 |
|---|---|
| SMILES | CC1=C2COC(CC2=C(C(=N1)Cl)C#N)(C)C |
| InChIKey | QWVWHHASPGMJMB-UHFFFAOYSA-N |
Product Overview
6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 126961-59-9), with molecular formula C12H13ClN2O and molecular weight 236.07 g/mol. IUPAC: 6-chloro-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. With a topological polar surface area (TPSA) of 45.9 Ų, 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has 0 hydrogen bond donor(s) and 3 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 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 126961-59-9.
What is the molecular formula of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C12H13ClN2O.
What is the molecular weight of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 236.07 g/mol.
Where can I buy 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.