(S)-4-(Oxiran-2-ylmethoxy)benzonitrile
TL;DR: (S)-4-(Oxiran-2-ylmethoxy)benzonitrile (CAS 70987-80-3) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2S)-oxiran-2-yl]methoxy]benzonitrile
Also Known As: (S)-4-(OXIRAN-2-YLMETHOXY)BENZONITRILE, 4-[[(2S)-oxiran-2-yl]methoxy]benzonitrile, 4-[(2S)-Oxiranylmethoxy]benzonitrile, 4-(2-oxiranylmethoxy)benzenecarbonitrile, 4-[(2S)-2-oxiranylmethoxy]benzonitrile
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.33588 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 321.77313 |
Chemical Identifiers
| CAS Number | 70987-80-3 |
|---|---|
| SMILES | C1[C@H](O1)COC2=CC=C(C=C2)C#N |
Product Overview
(S)-4-(Oxiran-2-ylmethoxy)benzonitrile (CAS 70987-80-3), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 4-[[(2S)-oxiran-2-yl]methoxy]benzonitrile.
Chemical Property Profile of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile
Property Insights of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile
The XLogP value of 1.33588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-(Oxiran-2-ylmethoxy)benzonitrile. With a topological polar surface area (TPSA) of 45.55 Ų, (S)-4-(Oxiran-2-ylmethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-4-(Oxiran-2-ylmethoxy)benzonitrile 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 (S)-4-(Oxiran-2-ylmethoxy)benzonitrile?
The CAS number of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile is 70987-80-3.
What is the molecular formula of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile?
The molecular formula of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile is C10H9NO2.
What is the molecular weight of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile?
The molecular weight of (S)-4-(Oxiran-2-ylmethoxy)benzonitrile is 175.06 g/mol.
Where can I buy (S)-4-(Oxiran-2-ylmethoxy)benzonitrile?
You can request a quote for (S)-4-(Oxiran-2-ylmethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-(Oxiran-2-ylmethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(Oxiran-2-ylmethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.