α-(丁氨基甲基)-4-硝基苯甲醇
TL;DR: α-(丁氨基甲基)-4-硝基苯甲醇 (CAS 10389-22-7) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(丁氨基甲基)-4-硝基苯甲醇
2-(butylamino)-1-(4-nitrophenyl)ethanol
Also Known As: BNPEA, 2-(butylamino)-1-(4-nitrophenyl)ethanol, L-Aspartic acid calcium salt, 1-(p-nitrophenyl)-2-butylaminoethanol, alpha-(Butylaminomethyl)-4-nitrobenzyl alcohol
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 10389-22-7 |
|---|---|
| SMILES | CCCCNCC(C1=CC=C(C=C1)[N+](=O)[O-])O |
| InChIKey | SKHNBYPLOOMSKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-(丁氨基甲基)-4-硝基苯甲醇 (CAS 10389-22-7), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 2-(butylamino)-1-(4-nitrophenyl)ethanol.
Chemical Property Profile of α-(丁氨基甲基)-4-硝基苯甲醇
Property Insights of α-(丁氨基甲基)-4-硝基苯甲醇
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(丁氨基甲基)-4-硝基苯甲醇. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for α-(丁氨基甲基)-4-硝基苯甲醇. Following Lipinski's Rule of Five, α-(丁氨基甲基)-4-硝基苄醇 has 2 hydrogen bond donor(s) and 4 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 α-(丁氨基甲基)-4-硝基苄醇?
The CAS number of α-(丁氨基甲基)-4-硝基苄醇 is 10389-22-7.
What is the molecular formula of α-(丁氨基甲基)-4-硝基苄醇?
The molecular formula of α-(丁氨基甲基)-4-硝基苄醇 is C12H18N2O3.
What is the molecular weight of α-(丁氨基甲基)-4-硝基苄醇?
The molecular weight of α-(丁氨基甲基)-4-硝基苄醇 is 238.13 g/mol.
Where can I buy α-(丁氨基甲基)-4-硝基苄醇?
You can request a quote for α-(丁氨基甲基)-4-硝基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(丁氨基甲基)-4-硝基苄醇?
Yes, KEHONG BIO provides custom synthesis services for α-(丁氨基甲基)-4-硝基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.