Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate
TL;DR: Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate (CAS 64058-79-3) is a chemical compound with molecular formula C30H54Cl2N4OS2 and molecular weight 620.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride
Also Known As: Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate, 2,2'-Dithiobis(N-(3-(1-admantyl)propyl)acetamidine) dihydrochloride hydrate, Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, 2HCl, hydrate, N'-[3-(1-Adamantyl)propyl]-2-[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanylethanimidamide hydrate dihydrochloride, (1Z)-N'-[3-(Adamantan-1-yl)propyl]{[(2E)-2-{[3-(adamantan-1-yl)propyl]imino}-2-aminoethyl]disulfanyl}ethanimidamide--hydrogen chloride--water (1/2/1)
| Molecular Formula | C30H54Cl2N4OS2 |
|---|---|
| Molecular Weight | 620.31 g/mol |
| LogP | 7.09 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.3116 |
| Heavy Atoms | 39 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 64058-79-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CCCN=C(CSSCC(=NCCCC45CC6CC(C4)CC(C6)C5)N)N.O.Cl.Cl |
| InChIKey | PDVRHNOYDKBSNX-UHFFFAOYSA-N |
Product Overview
Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate (CAS 64058-79-3), with molecular formula C30H54Cl2N4OS2 and molecular weight 620.31 g/mol. IUPAC: N'-[3-(1-adamantyl)propyl]-2-[[2-[3-(1-adamantyl)propylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride.
Chemical Property Profile of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate
Property Insights of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate
The XLogP value of 7.09 indicates that Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate. Following Lipinski's Rule of Five, Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate has 5 hydrogen bond donor(s) and 5 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-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate?
The CAS number of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate is 64058-79-3.
What is the molecular formula of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate?
The molecular formula of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate is C30H54Cl2N4OS2.
What is the molecular weight of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate?
The molecular weight of Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate is 620.31 g/mol.
Where can I buy Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate?
You can request a quote for Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate 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-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Acetamidine, 2,2'-dithiobis(N-(3-(1-adamantyl)propyl)-, dihydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.