InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H
TL;DR: InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H (CAS 127348-14-5) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2,5-dimethyl-1H-pyrrole-3-carbonitrile
Also Known As: 4-hydroxy-2,5-dimethyl-1H-pyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile, 4-hydroxy-2,5-dimethyl-, InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 1.20882 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 293.29013 |
Chemical Identifiers
| CAS Number | 127348-14-5 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)O)C#N |
Product Overview
InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H (CAS 127348-14-5), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: 4-hydroxy-2,5-dimethyl-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H
Property Insights of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H
The XLogP value of 1.20882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H. With a topological polar surface area (TPSA) of 59.81 Ų, InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H has 2 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 InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H?
The CAS number of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H is 127348-14-5.
What is the molecular formula of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H?
The molecular formula of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H is C7H8N2O.
What is the molecular weight of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H?
The molecular weight of InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H is 136.06 g/mol.
Where can I buy InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H?
You can request a quote for InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C7H8N2O/c1-4-6(3-8)7(10)5(2)9-4/h9-10H,1-2H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.