1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride
TL;DR: 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride (CAS 53415-63-7) is a chemical compound with molecular formula C10H24ClNO6S2 and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethylsulfonyloxypropylamino)propyl ethanesulfonate;hydrochloride
Also Known As: 3,3'-Iminodi-1-propanol diethanesulfonate hydrochloride, 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride, Ethanesulfonic acid, iminodi-3,1-propanediyl ester, hydrochloride, Bis[3-(ethylsulfonyloxy)propyl]amine hydrochloride, Ethanesulfonic acid,1-propanediyl ester, hydrochloride
| Molecular Formula | C10H24ClNO6S2 |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 0.5106 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 353.07336 |
| Heavy Atoms | 20 |
| Complexity | 383.02878 |
Chemical Identifiers
| CAS Number | 53415-63-7 |
|---|---|
| SMILES | CCS(=O)(=O)OCCCNCCCOS(=O)(=O)CC.Cl |
Product Overview
1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride (CAS 53415-63-7), with molecular formula C10H24ClNO6S2 and molecular weight 353.07 g/mol. IUPAC: 3-(3-ethylsulfonyloxypropylamino)propyl ethanesulfonate;hydrochloride.
Chemical Property Profile of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride
Property Insights of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride
The XLogP value of 0.5106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride. Following Lipinski's Rule of Five, 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride has 1 hydrogen bond donor(s) and 7 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 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride?
The CAS number of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride is 53415-63-7.
What is the molecular formula of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride?
The molecular formula of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride is C10H24ClNO6S2.
What is the molecular weight of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride?
The molecular weight of 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride is 353.07 g/mol.
Where can I buy 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride?
You can request a quote for 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 3,3'-iminodi-, diethanesulfonate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.