N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)
TL;DR: N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) (CAS 64059-00-3) is a chemical compound with molecular formula C20H44Cl2N4OS2 and molecular weight 490.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N'-(cycloheptylmethyl)-2-sulfanylethanimidamide);hydrate;dihydrochloride
Also Known As: N-(Cycloheptylmethyl)-2-mercaptoacetamidine hydrochloride hemihydrate, (1e)-n'-(cycloheptylmethyl)-2-sulfanylethanimidamide hydrochloride hydrate(2:2:1), Acetamidine, N-(cycloheptylmethyl)-2-mercapto-, hydrochloride, hemihydrate, N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1), N'-(cycloheptylmethyl)-2-sulfanylethanimidamide hydrate dihydrochloride
| Molecular Formula | C20H44Cl2N4OS2 |
|---|---|
| Molecular Weight | 490.23 g/mol |
| LogP | 4.51 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.23337 |
| Heavy Atoms | 29 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 64059-00-3 |
|---|---|
| SMILES | C1CCCC(CC1)CN=C(CS)N.C1CCCC(CC1)CN=C(CS)N.O.Cl.Cl |
| InChIKey | ZZBOVXFJRLDWEF-UHFFFAOYSA-N |
Product Overview
N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) (CAS 64059-00-3), with molecular formula C20H44Cl2N4OS2 and molecular weight 490.23 g/mol. IUPAC: bis(N'-(cycloheptylmethyl)-2-sulfanylethanimidamide);hydrate;dihydrochloride.
Chemical Property Profile of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)
Property Insights of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)
The XLogP value of 4.51 indicates that N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1). Following Lipinski's Rule of Five, N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) has 7 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 N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)?
The CAS number of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) is 64059-00-3.
What is the molecular formula of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)?
The molecular formula of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) is C20H44Cl2N4OS2.
What is the molecular weight of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)?
The molecular weight of N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) is 490.23 g/mol.
Where can I buy N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)?
You can request a quote for N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1)?
Yes, KEHONG BIO provides custom synthesis services for N-(Cycloheptylmethyl)(sulfanyl)ethanimidamide--hydrogen chloride--water (2/2/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.