1H-Pyrrole, 3-methyl-2-propyl
TL;DR: 1H-Pyrrole, 3-methyl-2-propyl (CAS 110674-34-5) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-propyl-1H-pyrrole
Also Known As: Methylpropylpyrrol, 1H-Pyrrole, 3-methyl-2-propyl, 1H-Pyrrole, 3-methyl-2-propyl-, 3-methyl-2-propyl-1H-pyrrole
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 110674-34-5 |
|---|---|
| SMILES | CCCC1=C(C=CN1)C |
| InChIKey | PBGHXNWNXGNGDD-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole, 3-methyl-2-propyl (CAS 110674-34-5), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 3-methyl-2-propyl-1H-pyrrole.
Chemical Property Profile of 1H-Pyrrole, 3-methyl-2-propyl
Property Insights of 1H-Pyrrole, 3-methyl-2-propyl
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 3-methyl-2-propyl. With a topological polar surface area (TPSA) of 15.8 Ų, 1H-Pyrrole, 3-methyl-2-propyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 3-methyl-2-propyl has 1 hydrogen bond donor(s) and 0 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 1H-Pyrrole, 3-methyl-2-propyl?
The CAS number of 1H-Pyrrole, 3-methyl-2-propyl is 110674-34-5.
What is the molecular formula of 1H-Pyrrole, 3-methyl-2-propyl?
The molecular formula of 1H-Pyrrole, 3-methyl-2-propyl is C8H13N.
What is the molecular weight of 1H-Pyrrole, 3-methyl-2-propyl?
The molecular weight of 1H-Pyrrole, 3-methyl-2-propyl is 123.10 g/mol.
Where can I buy 1H-Pyrrole, 3-methyl-2-propyl?
You can request a quote for 1H-Pyrrole, 3-methyl-2-propyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 3-methyl-2-propyl?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 3-methyl-2-propyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.