RefChem:315627
TL;DR: RefChem:315627 (CAS 64058-80-6) is a chemical compound with molecular formula C28H50Cl2N4OS4 and molecular weight 656.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(1-adamantylsulfanyl)ethyl]-2-[[2-[2-(1-adamantylsulfanyl)ethylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride
Also Known As: Acetamidine, 2,2'-dithiobis(N-(2-(1-adamantylthio)ethyl)-, dihydrochloride, hydrate, 2,2'-Dithiobis(N-(2-(1-adamantylthio)ethyl)acetamidine) dihydrochloride hydrate, Acetamidine, 2,2'-dithiobis(N-(2-(1-adamantylthio)ethyl)-, 2HCl, hydrate, N'-[2-(1-Adamantylsulfanyl)ethyl]-2-[2-[2-(1-adamantylsulfanyl)ethylimino]-2-aminoethyl]disulfanylethanimidamide hydratedihydrochloride, (1Z)-N'-{2-[(Adamantan-1-yl)sulfanyl]ethyl}{[(2E)-2-({2-[(adamantan-1-yl)sulfanyl]ethyl}imino)-2-aminoethyl]disulfanyl}ethanimidamide--hydrogen chloride--water (1/2/1)
| Molecular Formula | C28H50Cl2N4OS4 |
|---|---|
| Molecular Weight | 656.22 g/mol |
| LogP | 6.51 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 656.2244 |
| Heavy Atoms | 39 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 64058-80-6 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)SCCN=C(CSSCC(=NCCSC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl |
| InChIKey | LHOVVAOKADDNJH-UHFFFAOYSA-N |
Product Overview
RefChem:315627 (CAS 64058-80-6), with molecular formula C28H50Cl2N4OS4 and molecular weight 656.22 g/mol. IUPAC: N'-[2-(1-adamantylsulfanyl)ethyl]-2-[[2-[2-(1-adamantylsulfanyl)ethylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride.
Chemical Property Profile of RefChem:315627
Property Insights of RefChem:315627
The XLogP value of 6.51 indicates that RefChem:315627 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting RefChem:315627 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315627 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:315627?
The CAS number of RefChem:315627 is 64058-80-6.
What is the molecular formula of RefChem:315627?
The molecular formula of RefChem:315627 is C28H50Cl2N4OS4.
What is the molecular weight of RefChem:315627?
The molecular weight of RefChem:315627 is 656.22 g/mol.
Where can I buy RefChem:315627?
You can request a quote for RefChem:315627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315627?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.