2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇
TL;DR: 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 (CAS 119802-68-5) is a chemical compound with molecular formula C13H20ClNO and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
Also Known As: dihydrobupropion, threohydrobupropion, erythrohydrobupropion, 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol, Threo-dihydrobupropion
| Molecular Formula | C13H20ClNO |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.12334 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 119802-68-5 |
|---|---|
| SMILES | CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C |
| InChIKey | NDPTTXIBLSWNSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 (CAS 119802-68-5), with molecular formula C13H20ClNO and molecular weight 241.12 g/mol. IUPAC: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.
Chemical Property Profile of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇
Property Insights of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇. With a topological polar surface area (TPSA) of 32.3 Ų, 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 has 2 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 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇?
The CAS number of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 is 119802-68-5.
What is the molecular formula of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇?
The molecular formula of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 is C13H20ClNO.
What is the molecular weight of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇?
The molecular weight of 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 is 241.12 g/mol.
Where can I buy 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇?
You can request a quote for 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇?
Yes, KEHONG BIO provides custom synthesis services for 2-(叔丁氨基)-1-(3-氯苯基)丙-1-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.