Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate
TL;DR: Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate (CAS 64059-02-5) is a chemical compound with molecular formula C52H90Cl4N8OS4 and molecular weight 1110.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide);hydrate;tetrahydrochloride
Also Known As: S 75 (radioprotective), Sid 206413, C26H42N4S2.2ClH.1/2H2O, Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate, C26-H42-N4-S2.2Cl-H.1/2H2-O
| Molecular Formula | C52H90Cl4N8OS4 |
|---|---|
| Molecular Weight | 1110.49 g/mol |
| LogP | 11.89 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 1112.4845 |
| Heavy Atoms | 69 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 64059-02-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl.Cl.Cl |
| InChIKey | IMPXODIHOQJCRK-UHFFFAOYSA-N |
Product Overview
Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate (CAS 64059-02-5), with molecular formula C52H90Cl4N8OS4 and molecular weight 1110.49 g/mol. IUPAC: bis(N'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide);hydrate;tetrahydrochloride.
Chemical Property Profile of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate
Property Insights of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate
The XLogP value of 11.89 indicates that Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate has 9 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate?
The CAS number of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate is 64059-02-5.
What is the molecular formula of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate?
The molecular formula of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate is C52H90Cl4N8OS4.
What is the molecular weight of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate?
The molecular weight of Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate is 1110.49 g/mol.
Where can I buy Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate?
You can request a quote for Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Acetamidine, 2,2'-dithiobis(N-(1-adamantylmethyl)-, dihydrochloride, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.