5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole
TL;DR: 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole (CAS 201679-82-5) is a chemical compound with molecular formula C6H10ClN and molecular weight 131.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1,4-dimethyl-2,3-dihydropyrrole
Also Known As: 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole, 5-chloro-1,4-dimethyl-2,3-dihydropyrrole, 1H-pyrrole, 2-chloro-4,5-dihydro-1,3-dimethyl-, 1,3-Dimethyl-2-chloro-4,5-dihydro-1H-pyrrole, InChI=1/C6H10ClN/c1-5-3-4-8(2)6(5)7/h3-4H2,1-2H
| Molecular Formula | C6H10ClN |
|---|---|
| Molecular Weight | 131.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.05017 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 201679-82-5 |
|---|---|
| SMILES | CC1=C(N(CC1)C)Cl |
| InChIKey | KPLCYMNLUVLQFT-UHFFFAOYSA-N |
Product Overview
5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole (CAS 201679-82-5), with molecular formula C6H10ClN and molecular weight 131.05 g/mol. IUPAC: 5-chloro-1,4-dimethyl-2,3-dihydropyrrole.
Chemical Property Profile of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole
Property Insights of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole. With a topological polar surface area (TPSA) of 3.2 Ų, 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole has 0 hydrogen bond donor(s) and 1 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 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole?
The CAS number of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole is 201679-82-5.
What is the molecular formula of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole?
The molecular formula of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole is C6H10ClN.
What is the molecular weight of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole?
The molecular weight of 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole is 131.05 g/mol.
Where can I buy 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole?
You can request a quote for 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-1,4-dimethyl-2,3-dihydro-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.