2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride
TL;DR: 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride (CAS 51734-63-5) is a chemical compound with molecular formula C21H36ClNO2S and molecular weight 401.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dibutylamino)-3-propylsulfanylpropan-2-yl] benzoate;hydrochloride
Also Known As: 1-(Dibutylamino)-3-(propylthio)-2-propanol benzoate hydrochloride, 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride, [1-(dibutylamino)-3-propylsulfanylpropan-2-yl] benzoate hydrochloride, 1-(Dibutylamino)-3-(propylsulfanyl)propan-2-yl benzoate--hydrogen chloride (1/1), RefChem:1064264
| Molecular Formula | C21H36ClNO2S |
|---|---|
| Molecular Weight | 401.22 g/mol |
| LogP | 5.6792 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 401.2155 |
| Heavy Atoms | 26 |
| Complexity | 450.5841 |
Chemical Identifiers
| CAS Number | 51734-63-5 |
|---|---|
| SMILES | CCCCN(CCCC)CC(CSCCC)OC(=O)C1=CC=CC=C1.Cl |
Product Overview
2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride (CAS 51734-63-5), with molecular formula C21H36ClNO2S and molecular weight 401.22 g/mol. IUPAC: [1-(dibutylamino)-3-propylsulfanylpropan-2-yl] benzoate;hydrochloride.
Chemical Property Profile of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride
Property Insights of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride
The XLogP value of 5.6792 indicates that 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride?
The CAS number of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride is 51734-63-5.
What is the molecular formula of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride?
The molecular formula of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride is C21H36ClNO2S.
What is the molecular weight of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride?
The molecular weight of 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride is 401.22 g/mol.
Where can I buy 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride?
You can request a quote for 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, 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 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.