Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)
TL;DR: Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) (CAS 101022-73-5) is a chemical compound with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol;hydrochloride
Also Known As: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol, 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol hydrochloride, Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)
| Molecular Formula | C11H15ClN2O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 2.72662 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0873 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 101022-73-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1O)NC2=NCCC2.Cl |
| InChIKey | ROSNMDWAWBBSHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) (CAS 101022-73-5), with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol. IUPAC: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol;hydrochloride.
Chemical Property Profile of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)
Property Insights of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)
The XLogP value of 2.72662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 44.6 Ų, Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) has 3 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 Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)?
The CAS number of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) is 101022-73-5.
What is the molecular formula of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)?
The molecular formula of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) is C11H15ClN2O.
What is the molecular weight of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)?
The molecular weight of Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) is 226.09 g/mol.
Where can I buy Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)?
You can request a quote for Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.