Hemopyrrole
TL;DR: Hemopyrrole (CAS 491-18-9) 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.
4-ethyl-2,3-dimethyl-1H-pyrrole
Also Known As: Hemopyrrole, Hamopyrrol, 2,3-Dimethyl-4-ethylpyrrole, 1H-Pyrrole, 4-ethyl-2,3-dimethyl-, 4-Ethyl-2,3-dimethyl-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 | 1 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 491-18-9 |
|---|---|
| SMILES | CCC1=CNC(=C1C)C |
| InChIKey | WGUZBCNNSVWXTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hemopyrrole (CAS 491-18-9), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 4-ethyl-2,3-dimethyl-1H-pyrrole.
Chemical Property Profile of Hemopyrrole
Property Insights of Hemopyrrole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hemopyrrole. With a topological polar surface area (TPSA) of 15.8 Ų, Hemopyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hemopyrrole 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 Hemopyrrole?
The CAS number of Hemopyrrole is 491-18-9.
What is the molecular formula of Hemopyrrole?
The molecular formula of Hemopyrrole is C8H13N.
What is the molecular weight of Hemopyrrole?
The molecular weight of Hemopyrrole is 123.10 g/mol.
Where can I buy Hemopyrrole?
You can request a quote for Hemopyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemopyrrole?
Yes, KEHONG BIO provides custom synthesis services for Hemopyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.