4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile
TL;DR: 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 3510-39-2) is a chemical compound with molecular formula C7H11N3 and molecular weight 137.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1,5-dimethyl-2,5-dihydropyrrole-3-carbonitrile
Also Known As: 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile, 4-amino-1,5-dimethyl-2,5-dihydropyrrole-3-carbonitrile
| Molecular Formula | C7H11N3 |
|---|---|
| Molecular Weight | 137.10 g/mol |
| LogP | 0.05668 |
| Topological Polar Surface Area | 53.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.09529 |
| Heavy Atoms | 10 |
| Complexity | 211.38133 |
Chemical Identifiers
| CAS Number | 3510-39-2 |
|---|---|
| SMILES | CC1C(=C(CN1C)C#N)N |
Product Overview
4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 3510-39-2), with molecular formula C7H11N3 and molecular weight 137.10 g/mol. IUPAC: 4-amino-1,5-dimethyl-2,5-dihydropyrrole-3-carbonitrile.
Chemical Property Profile of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile
Property Insights of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile
The XLogP value of 0.05668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile. With a topological polar surface area (TPSA) of 53.05 Ų, 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile?
The CAS number of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile is 3510-39-2.
What is the molecular formula of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular formula of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile is C7H11N3.
What is the molecular weight of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular weight of 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile is 137.10 g/mol.
Where can I buy 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile?
You can request a quote for 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-1,5-dimethyl-2,5-dihydro-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.