1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride
TL;DR: 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride (CAS 61556-90-9) is a chemical compound with molecular formula C14H32ClNO6S2 and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-butylsulfonyloxypropylamino)propyl butane-1-sulfonate;hydrochloride
Also Known As: 3,3'-Iminodi-1-propanol dibutanesulfonate hydrochloride, 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride, 3-(3-butylsulfonyloxypropylamino)propyl butane-1-sulfonate hydrochloride, Azanediyldi(propane-3,1-diyl) dibutane-1-sulfonate--hydrogen chloride (1/1), RefChem:234658
| Molecular Formula | C14H32ClNO6S2 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 2.071 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 409.13596 |
| Heavy Atoms | 24 |
| Complexity | 437.49313 |
Chemical Identifiers
| CAS Number | 61556-90-9 |
|---|---|
| SMILES | CCCCS(=O)(=O)OCCCNCCCOS(=O)(=O)CCCC.Cl |
Product Overview
1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride (CAS 61556-90-9), with molecular formula C14H32ClNO6S2 and molecular weight 409.14 g/mol. IUPAC: 3-(3-butylsulfonyloxypropylamino)propyl butane-1-sulfonate;hydrochloride.
Chemical Property Profile of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride
Property Insights of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride
The XLogP value of 2.071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride. Following Lipinski's Rule of Five, 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (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-, dibutanesulfonate (ester), hydrochloride?
The CAS number of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride is 61556-90-9.
What is the molecular formula of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride?
The molecular formula of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride is C14H32ClNO6S2.
What is the molecular weight of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride?
The molecular weight of 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride is 409.14 g/mol.
Where can I buy 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride?
You can request a quote for 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (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-, dibutanesulfonate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 3,3'-iminodi-, dibutanesulfonate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.