1-Phenylmethoxypyrrole-2-carbonitrile
TL;DR: 1-Phenylmethoxypyrrole-2-carbonitrile (CAS 60404-35-5) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylmethoxypyrrole-2-carbonitrile
Also Known As: 1-phenylmethoxypyrrole-2-carbonitrile, 1-(Benzyloxy)-1H-pyrrole-2-carbonitrile
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 60404-35-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CON2C=CC=C2C#N |
| InChIKey | UCFQUXCWBZEQRS-UHFFFAOYSA-N |
Product Overview
1-Phenylmethoxypyrrole-2-carbonitrile (CAS 60404-35-5), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 1-phenylmethoxypyrrole-2-carbonitrile.
Chemical Property Profile of 1-Phenylmethoxypyrrole-2-carbonitrile
Property Insights of 1-Phenylmethoxypyrrole-2-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylmethoxypyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 38.0 Ų, 1-Phenylmethoxypyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylmethoxypyrrole-2-carbonitrile 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 1-Phenylmethoxypyrrole-2-carbonitrile?
The CAS number of 1-Phenylmethoxypyrrole-2-carbonitrile is 60404-35-5.
What is the molecular formula of 1-Phenylmethoxypyrrole-2-carbonitrile?
The molecular formula of 1-Phenylmethoxypyrrole-2-carbonitrile is C12H10N2O.
What is the molecular weight of 1-Phenylmethoxypyrrole-2-carbonitrile?
The molecular weight of 1-Phenylmethoxypyrrole-2-carbonitrile is 198.08 g/mol.
Where can I buy 1-Phenylmethoxypyrrole-2-carbonitrile?
You can request a quote for 1-Phenylmethoxypyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylmethoxypyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylmethoxypyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.