RefChem:234601
TL;DR: RefChem:234601 (CAS 88313-58-0) is a chemical compound with molecular formula C30H64N4O9P2S2 and molecular weight 750.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid);trihydrate
Also Known As: C15H29N2O3PS.3/2H2O, C15-H29-N2-O3-P-S.3/2H2-O, 1-Propanethiol, 3-((2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)ethyl)amino)-, dihydrogen phosphate (ester), hydrate (2:3), S-(N-(N-(Adamantyl-1)-2-aminoethyl)-3-aminopropyl)thiophosphoric acid sesquihydrate, 3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid trihydrate
| Molecular Formula | C30H64N4O9P2S2 |
|---|---|
| Molecular Weight | 750.36 g/mol |
| LogP | 2.23 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 750.359 |
| Heavy Atoms | 47 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 88313-58-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.C1C2CC3CC1CC(C2)(C3)NCCNCCCSP(=O)(O)O.O.O.O |
| InChIKey | RRUKAQNLKQSKNV-UHFFFAOYSA-N |
Product Overview
RefChem:234601 (CAS 88313-58-0), with molecular formula C30H64N4O9P2S2 and molecular weight 750.36 g/mol. IUPAC: bis(3-[2-(1-adamantylamino)ethylamino]propylsulfanylphosphonic acid);trihydrate.
Chemical Property Profile of RefChem:234601
Property Insights of RefChem:234601
The XLogP value of 2.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234601. The TPSA of 217.0 Ų indicates high polarity, suggesting RefChem:234601 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:234601 has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:234601?
The CAS number of RefChem:234601 is 88313-58-0.
What is the molecular formula of RefChem:234601?
The molecular formula of RefChem:234601 is C30H64N4O9P2S2.
What is the molecular weight of RefChem:234601?
The molecular weight of RefChem:234601 is 750.36 g/mol.
Where can I buy RefChem:234601?
You can request a quote for RefChem:234601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234601?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.