Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)
TL;DR: Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 64039-25-4) is a chemical compound with molecular formula C13H30Br2N4S2 and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-carbamimidoylsulfanylundecyl carbamimidothioate;dihydrobromide
Also Known As: Undecane diisothiourea dihydrobromide, Pseudourea, undecanebis(2'-thio-, dihydrobromide, undecane-1,11-diyl dicarbamimidothioate dihydrobromide, Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2), 11-carbamimidoylsulfanylundecyl carbamimidothioate dihydrobromide
| Molecular Formula | C13H30Br2N4S2 |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 4.91 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 466.02582 |
| Heavy Atoms | 21 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 64039-25-4 |
|---|---|
| SMILES | C(CCCCCSC(=N)N)CCCCCSC(=N)N.Br.Br |
| InChIKey | CBQRXIOMGWUFCF-UHFFFAOYSA-N |
Product Overview
Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) (CAS 64039-25-4), with molecular formula C13H30Br2N4S2 and molecular weight 464.03 g/mol. IUPAC: 11-carbamimidoylsulfanylundecyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)
Property Insights of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)
The XLogP value of 4.91 indicates that Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The CAS number of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 64039-25-4.
What is the molecular formula of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular formula of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) is C13H30Br2N4S2.
What is the molecular weight of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
The molecular weight of Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) is 464.03 g/mol.
Where can I buy Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
You can request a quote for Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for Undecane-1,11-diyl dicarbamimidothioate--hydrogen bromide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.