3-(Allyloxy)-1-benzothiophene-2-carbonitrile
TL;DR: 3-(Allyloxy)-1-benzothiophene-2-carbonitrile (CAS 303985-36-6) is a chemical compound with molecular formula C12H9NOS and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enoxy-1-benzothiophene-2-carbonitrile
Also Known As: 3-(allyloxy)-1-benzothiophene-2-carbonitrile, 3-prop-2-enoxy-1-benzothiophene-2-carbonitrile, 3-allyloxybenzothiophene-2-carbonitrile, 11L-598S, 3-(prop-2-en-1-yloxy)-1-benzothiophene-2-carbonitrile
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 3.33778 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.04048 |
| Heavy Atoms | 15 |
| Complexity | 536.03595 |
Chemical Identifiers
| CAS Number | 303985-36-6 |
|---|---|
| SMILES | C=CCOC1=C(SC2=CC=CC=C21)C#N |
Product Overview
3-(Allyloxy)-1-benzothiophene-2-carbonitrile (CAS 303985-36-6), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: 3-prop-2-enoxy-1-benzothiophene-2-carbonitrile.
Chemical Property Profile of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile
Property Insights of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile
The XLogP value of 3.33778 indicates that 3-(Allyloxy)-1-benzothiophene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-(Allyloxy)-1-benzothiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Allyloxy)-1-benzothiophene-2-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 3-(Allyloxy)-1-benzothiophene-2-carbonitrile?
The CAS number of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile is 303985-36-6.
What is the molecular formula of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile?
The molecular formula of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile is C12H9NOS.
What is the molecular weight of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile?
The molecular weight of 3-(Allyloxy)-1-benzothiophene-2-carbonitrile is 215.04 g/mol.
Where can I buy 3-(Allyloxy)-1-benzothiophene-2-carbonitrile?
You can request a quote for 3-(Allyloxy)-1-benzothiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Allyloxy)-1-benzothiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Allyloxy)-1-benzothiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.