Pseudoephedrine, benzoate (ester), hydrochloride, (+)-
TL;DR: Pseudoephedrine, benzoate (ester), hydrochloride, (+)- (CAS 7699-91-4) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S)-2-(methylamino)-1-phenylpropyl] benzoate;hydrochloride
Also Known As: (+)-Pseudoephedrine hydrochloride, benzoate (ester), Pseudoephedrine, benzoate (ester), hydrochloride, (+)-, [(1S,2S)-2-(methylamino)-1-phenylpropyl] benzoate hydrochloride, (1S,2S)-2-(Methylamino)-1-phenylpropyl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C17H20ClNO2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.6144 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.11826 |
| Heavy Atoms | 21 |
| Complexity | 545.23126 |
Chemical Identifiers
| CAS Number | 7699-91-4 |
|---|---|
| SMILES | C[C@@H]([C@H](C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)NC.Cl |
Product Overview
Pseudoephedrine, benzoate (ester), hydrochloride, (+)- (CAS 7699-91-4), with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol. IUPAC: [(1S,2S)-2-(methylamino)-1-phenylpropyl] benzoate;hydrochloride.
Chemical Property Profile of Pseudoephedrine, benzoate (ester), hydrochloride, (+)-
Property Insights of Pseudoephedrine, benzoate (ester), hydrochloride, (+)-
The XLogP value of 3.6144 indicates that Pseudoephedrine, benzoate (ester), hydrochloride, (+)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Pseudoephedrine, benzoate (ester), hydrochloride, (+)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudoephedrine, benzoate (ester), hydrochloride, (+)- has 1 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 Pseudoephedrine, benzoate (ester), hydrochloride, (+)-?
The CAS number of Pseudoephedrine, benzoate (ester), hydrochloride, (+)- is 7699-91-4.
What is the molecular formula of Pseudoephedrine, benzoate (ester), hydrochloride, (+)-?
The molecular formula of Pseudoephedrine, benzoate (ester), hydrochloride, (+)- is C17H20ClNO2.
What is the molecular weight of Pseudoephedrine, benzoate (ester), hydrochloride, (+)-?
The molecular weight of Pseudoephedrine, benzoate (ester), hydrochloride, (+)- is 305.12 g/mol.
Where can I buy Pseudoephedrine, benzoate (ester), hydrochloride, (+)-?
You can request a quote for Pseudoephedrine, benzoate (ester), hydrochloride, (+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudoephedrine, benzoate (ester), hydrochloride, (+)-?
Yes, KEHONG BIO provides custom synthesis services for Pseudoephedrine, benzoate (ester), hydrochloride, (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.