RefChem:340257
TL;DR: RefChem:340257 (CAS 88313-59-1) is a chemical compound with molecular formula C15H31N2O4PS and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid;hydrate
Also Known As: Ethanethiol, 2-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate, S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)aminoethyl)thiophosphoric acid hydrate, 2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid hydrate, S-{2-[(2-{[(Adamantan-1-yl)methyl]amino}ethyl)amino]ethyl} dihydrogen phosphorothioate--water (1/1), RefChem:340257
| Molecular Formula | C15H31N2O4PS |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 366.17422 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 88313-59-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNCCNCCSP(=O)(O)O.O |
| InChIKey | ZVDGDPATCTXANE-UHFFFAOYSA-N |
Product Overview
RefChem:340257 (CAS 88313-59-1), with molecular formula C15H31N2O4PS and molecular weight 366.17 g/mol. IUPAC: 2-[2-(1-adamantylmethylamino)ethylamino]ethylsulfanylphosphonic acid;hydrate.
Chemical Property Profile of RefChem:340257
Property Insights of RefChem:340257
The XLogP value of 1.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340257. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340257. Following Lipinski's Rule of Five, RefChem:340257 has 5 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 RefChem:340257?
The CAS number of RefChem:340257 is 88313-59-1.
What is the molecular formula of RefChem:340257?
The molecular formula of RefChem:340257 is C15H31N2O4PS.
What is the molecular weight of RefChem:340257?
The molecular weight of RefChem:340257 is 366.17 g/mol.
Where can I buy RefChem:340257?
You can request a quote for RefChem:340257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340257?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.