RefChem:340272
TL;DR: RefChem:340272 (CAS 88313-60-4) is a chemical compound with molecular formula C15H33N2O5PS and molecular weight 384.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid;dihydrate
Also Known As: Ethanethiol, 2-((3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)amino)-, dihydrogen phosphate (ester), hydrate (1:2), S-(N-(N-(Adamantyl-1)-3-aminopropyl)aminoethyl)thiophosphoric acid dihydrate, 2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid dihydrate, S-[2-({3-[(Adamantan-1-yl)amino]propyl}amino)ethyl] dihydrogen phosphorothioate--water (1/2), RefChem:340272
| Molecular Formula | C15H33N2O5PS |
|---|---|
| Molecular Weight | 384.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.18478 |
| Heavy Atoms | 24 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 88313-60-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NCCCNCCSP(=O)(O)O.O.O |
| InChIKey | WSWOSDJXYNYUCD-UHFFFAOYSA-N |
Product Overview
RefChem:340272 (CAS 88313-60-4), with molecular formula C15H33N2O5PS and molecular weight 384.18 g/mol. IUPAC: 2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid;dihydrate.
Chemical Property Profile of RefChem:340272
Property Insights of RefChem:340272
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340272. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340272. Following Lipinski's Rule of Five, RefChem:340272 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:340272?
The CAS number of RefChem:340272 is 88313-60-4.
What is the molecular formula of RefChem:340272?
The molecular formula of RefChem:340272 is C15H33N2O5PS.
What is the molecular weight of RefChem:340272?
The molecular weight of RefChem:340272 is 384.18 g/mol.
Where can I buy RefChem:340272?
You can request a quote for RefChem:340272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340272?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.