RefChem:340542
TL;DR: RefChem:340542 (CAS 35412-70-5) is a chemical compound with molecular formula C12H22NO3PS and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantylamino)ethylsulfanylphosphonic acid
Also Known As: S-(2-(Adamantyl-1-amino)ethyl)thiophosphoric acid, 2-[1-Adamantyl]aminoethylthiophosphate, 2-(1-adamantylamino)ethylsulfanylphosphonic acid, Ethanethiol, 2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-, dihydrogen phosphate (ester), S-[2-(1-Adamantylamino)ethyl] dihydrogen thiophosphate #
| Molecular Formula | C12H22NO3PS |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1058 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 35412-70-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NCCSP(=O)(O)O |
| InChIKey | TXJLWOSEXGDUBX-UHFFFAOYSA-N |
Product Overview
RefChem:340542 (CAS 35412-70-5), with molecular formula C12H22NO3PS and molecular weight 291.11 g/mol. IUPAC: 2-(1-adamantylamino)ethylsulfanylphosphonic acid.
Chemical Property Profile of RefChem:340542
Property Insights of RefChem:340542
The XLogP value of -1.2 indicates that RefChem:340542 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340542. Following Lipinski's Rule of Five, RefChem:340542 has 3 hydrogen bond donor(s) and 5 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:340542?
The CAS number of RefChem:340542 is 35412-70-5.
What is the molecular formula of RefChem:340542?
The molecular formula of RefChem:340542 is C12H22NO3PS.
What is the molecular weight of RefChem:340542?
The molecular weight of RefChem:340542 is 291.11 g/mol.
Where can I buy RefChem:340542?
You can request a quote for RefChem:340542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340542?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.