RefChem:371442
TL;DR: RefChem:371442 (CAS 63717-28-2) is a chemical compound with molecular formula C14H48N4O11P2S2 and molecular weight 574.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid);pentahydrate
Also Known As: C7H19N2O3PS.5/2H2O, C7-H19-N2-O3-P-S.5/2H2-O, S-(2-((3-Aminopropyl)amino)-2-methyl)propyl dihydrogen phosphorothioate hydrate (2:2:5), Phosphorothioic acid, S-((2-(3-aminopropylamino)-2-methyl)propyl) ester, hydrate (2:2:5), Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, dihydrogen phosphate (ester) hydrate
| Molecular Formula | C14H48N4O11P2S2 |
|---|---|
| Molecular Weight | 574.22 g/mol |
| LogP | -3.35 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Exact Mass | 574.22363 |
| Heavy Atoms | 33 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 63717-28-2 |
|---|---|
| SMILES | CC(CNCCCN)CSP(=O)(O)O.CC(CNCCCN)CSP(=O)(O)O.O.O.O.O.O |
| InChIKey | VEZDUYOIFCALMU-UHFFFAOYSA-N |
Product Overview
RefChem:371442 (CAS 63717-28-2), with molecular formula C14H48N4O11P2S2 and molecular weight 574.22 g/mol. IUPAC: bis([3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid);pentahydrate.
Chemical Property Profile of RefChem:371442
Property Insights of RefChem:371442
The XLogP value of -3.35 indicates that RefChem:371442 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting RefChem:371442 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371442 has 13 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:371442?
The CAS number of RefChem:371442 is 63717-28-2.
What is the molecular formula of RefChem:371442?
The molecular formula of RefChem:371442 is C14H48N4O11P2S2.
What is the molecular weight of RefChem:371442?
The molecular weight of RefChem:371442 is 574.22 g/mol.
Where can I buy RefChem:371442?
You can request a quote for RefChem:371442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371442?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.