threohydrobupropion
TL;DR: threohydrobupropion (CAS 102141-12-8) 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.
(1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
Also Known As: threohydrobupropion, Threo-dihydrobupropion, rac threo-Dihydro Bupropion, rac threo-Dihydrobupropion, Threohydroxy Bupropion
| Molecular Formula | C13H20ClNO |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 3.15 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.12334 |
| Heavy Atoms | 16 |
| Complexity | 346.03098 |
Chemical Identifiers
| CAS Number | 102141-12-8 |
|---|---|
| SMILES | C[C@@H]([C@H](C1=CC(=CC=C1)Cl)O)NC(C)(C)C |
Product Overview
threohydrobupropion (CAS 102141-12-8), with molecular formula C13H20ClNO and molecular weight 241.12 g/mol. IUPAC: (1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.
Chemical Property Profile of threohydrobupropion
Property Insights of threohydrobupropion
The XLogP value of 3.15 indicates that threohydrobupropion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, threohydrobupropion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, threohydrobupropion 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 threohydrobupropion?
The CAS number of threohydrobupropion is 102141-12-8.
What is the molecular formula of threohydrobupropion?
The molecular formula of threohydrobupropion is C13H20ClNO.
What is the molecular weight of threohydrobupropion?
The molecular weight of threohydrobupropion is 241.12 g/mol.
Where can I buy threohydrobupropion?
You can request a quote for threohydrobupropion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for threohydrobupropion?
Yes, KEHONG BIO provides custom synthesis services for threohydrobupropion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.