3-Amino-1-(4-chlor-anilino)-propanol-(2)
TL;DR: 3-Amino-1-(4-chlor-anilino)-propanol-(2) (CAS 69422-39-5) is a chemical compound with molecular formula C9H13ClN2O and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-chloroanilino)propan-2-ol
Also Known As: 3-Amino-1-(4-chlor-anilino)-propanol-(2), 1-amino-3-(4-chloroanilino)propan-2-ol, 1-amino-3-[(4-chlorophenyl)amino]propan-2-ol
| Molecular Formula | C9H13ClN2O |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.07164 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 69422-39-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC(CN)O)Cl |
| InChIKey | GKVGHJONJWQHAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-(4-chlor-anilino)-propanol-(2) (CAS 69422-39-5), with molecular formula C9H13ClN2O and molecular weight 200.07 g/mol. IUPAC: 1-amino-3-(4-chloroanilino)propan-2-ol.
Chemical Property Profile of 3-Amino-1-(4-chlor-anilino)-propanol-(2)
Property Insights of 3-Amino-1-(4-chlor-anilino)-propanol-(2)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-(4-chlor-anilino)-propanol-(2). With a topological polar surface area (TPSA) of 58.3 Ų, 3-Amino-1-(4-chlor-anilino)-propanol-(2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-1-(4-chlor-anilino)-propanol-(2) has 3 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 3-Amino-1-(4-chlor-anilino)-propanol-(2)?
The CAS number of 3-Amino-1-(4-chlor-anilino)-propanol-(2) is 69422-39-5.
What is the molecular formula of 3-Amino-1-(4-chlor-anilino)-propanol-(2)?
The molecular formula of 3-Amino-1-(4-chlor-anilino)-propanol-(2) is C9H13ClN2O.
What is the molecular weight of 3-Amino-1-(4-chlor-anilino)-propanol-(2)?
The molecular weight of 3-Amino-1-(4-chlor-anilino)-propanol-(2) is 200.07 g/mol.
Where can I buy 3-Amino-1-(4-chlor-anilino)-propanol-(2)?
You can request a quote for 3-Amino-1-(4-chlor-anilino)-propanol-(2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-(4-chlor-anilino)-propanol-(2)?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-(4-chlor-anilino)-propanol-(2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.