Cambridge id 5936386
TL;DR: Cambridge id 5936386 (CAS 109878-47-9) is a chemical compound with molecular formula C16H21NO and molecular weight 243.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzyl-2,2-dimethyloxan-4-yl)acetonitrile
Also Known As: BAS 01312598, (4-Benzyl-2,2-dimethyloxan-4-yl)acetonitrile, 2-(4-benzyl-2,2-dimethyloxan-4-yl)acetonitrile, AB00101468-01, (4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetonitrile
| Molecular Formula | C16H21NO |
|---|---|
| Molecular Weight | 243.16 g/mol |
| LogP | 3.71818 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.16231 |
| Heavy Atoms | 18 |
| Complexity | 432.16022 |
Chemical Identifiers
| CAS Number | 109878-47-9 |
|---|---|
| SMILES | CC1(CC(CCO1)(CC#N)CC2=CC=CC=C2)C |
Product Overview
Cambridge id 5936386 (CAS 109878-47-9), with molecular formula C16H21NO and molecular weight 243.16 g/mol. IUPAC: 2-(4-benzyl-2,2-dimethyloxan-4-yl)acetonitrile.
Chemical Property Profile of Cambridge id 5936386
Property Insights of Cambridge id 5936386
The XLogP value of 3.71818 indicates that Cambridge id 5936386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, Cambridge id 5936386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5936386 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 Cambridge id 5936386?
The CAS number of Cambridge id 5936386 is 109878-47-9.
What is the molecular formula of Cambridge id 5936386?
The molecular formula of Cambridge id 5936386 is C16H21NO.
What is the molecular weight of Cambridge id 5936386?
The molecular weight of Cambridge id 5936386 is 243.16 g/mol.
Where can I buy Cambridge id 5936386?
You can request a quote for Cambridge id 5936386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5936386?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5936386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.