3-methylpyridine-4-carbonitrile
TL;DR: 3-methylpyridine-4-carbonitrile (CAS 137365-16-3) is a chemical compound with molecular formula C47H38O4 and molecular weight 666.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[hydroxy(dinaphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-2-ylmethanol
Also Known As: 3-methylpyridine-4-carbonitrile, J1.931.702A, [(4R,5R)-5-[hydroxy(dinaphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-2-ylmethanol, ((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(di(naphthalen-2-yl)methanol), (+)-2,3-O-Isopropylidene-1,1,4,4-tetra(2-naphthyl)-D-threitol
| Molecular Formula | C47H38O4 |
|---|---|
| Molecular Weight | 666.28 g/mol |
| LogP | 9.9915 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 666.27704 |
| Heavy Atoms | 51 |
| Complexity | 2250.1497 |
Chemical Identifiers
| CAS Number | 137365-16-3 |
|---|---|
| SMILES | CC1(OC(C(O1)C(C2=CC3=CC=CC=C3C=C2)(C4=CC5=CC=CC=C5C=C4)O)C(C6=CC7=CC=CC=C7C=C6)(C8=CC9=CC=CC=C9C=C8)O)C |
Product Overview
3-methylpyridine-4-carbonitrile (CAS 137365-16-3), with molecular formula C47H38O4 and molecular weight 666.28 g/mol. IUPAC: [5-[hydroxy(dinaphthalen-2-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-dinaphthalen-2-ylmethanol.
Chemical Property Profile of 3-methylpyridine-4-carbonitrile
Property Insights of 3-methylpyridine-4-carbonitrile
The XLogP value of 9.9915 indicates that 3-methylpyridine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.92 Ų, 3-methylpyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylpyridine-4-carbonitrile has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methylpyridine-4-carbonitrile?
The CAS number of 3-methylpyridine-4-carbonitrile is 137365-16-3.
What is the molecular formula of 3-methylpyridine-4-carbonitrile?
The molecular formula of 3-methylpyridine-4-carbonitrile is C47H38O4.
What is the molecular weight of 3-methylpyridine-4-carbonitrile?
The molecular weight of 3-methylpyridine-4-carbonitrile is 666.28 g/mol.
Where can I buy 3-methylpyridine-4-carbonitrile?
You can request a quote for 3-methylpyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylpyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-methylpyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.