RefChem:315629
TL;DR: RefChem:315629 (CAS 64058-81-7) 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.
2-[[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]disulfanyl]-N'-[(3,5-dimethyl-1-adamantyl)methyl]ethanimidamide;hydrate;dihydrochloride
Also Known As: 2,2'-Dithiobis(N-(3,5-dimethyl)-1-adamantylmethylacetamidine) dihydrochloride hydrate, Acetamidine, 2,2'-dithiobis(N-(3,5-dimethyl)-1-adamantylmethyl-, dihydrochloride, hydrate, Acetamidine, 2,2'-dithiobis(N-(3,5-dimethyl)-1-adamantylmethyl)-, 2HCl, hydrate, 2,2'-Disulfanediylbis{N-[(3,5-dimethyladamantan-1-yl)methyl]ethanimidamide}--hydrogen chloride--water (1/2/1), 2-[[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]disulfanyl]-N'-[(3,5-dimethyl-1-adamantyl)methyl]ethanimidamide hydrate dihydrochloride
| 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 | 9 |
| Exact Mass | 620.3116 |
| Heavy Atoms | 39 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 64058-81-7 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSSCC(=NCC45CC6CC(C4)(CC(C6)(C5)C)C)N)N)C.O.Cl.Cl |
| InChIKey | BOHHEVDLDAVFQN-UHFFFAOYSA-N |
Product Overview
RefChem:315629 (CAS 64058-81-7), with molecular formula C30H54Cl2N4OS2 and molecular weight 620.31 g/mol. IUPAC: 2-[[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]disulfanyl]-N'-[(3,5-dimethyl-1-adamantyl)methyl]ethanimidamide;hydrate;dihydrochloride.
Chemical Property Profile of RefChem:315629
Property Insights of RefChem:315629
The XLogP value of 7.09 indicates that RefChem:315629 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 RefChem:315629. Following Lipinski's Rule of Five, RefChem:315629 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 RefChem:315629?
The CAS number of RefChem:315629 is 64058-81-7.
What is the molecular formula of RefChem:315629?
The molecular formula of RefChem:315629 is C30H54Cl2N4OS2.
What is the molecular weight of RefChem:315629?
The molecular weight of RefChem:315629 is 620.31 g/mol.
Where can I buy RefChem:315629?
You can request a quote for RefChem:315629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.