Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide
TL;DR: Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide (CAS 100911-93-1) is a chemical compound with molecular formula C6H17Br2N5S and molecular weight 348.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diaminomethylideneamino)butyl carbamimidothioate;dihydrobromide
Also Known As: Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide, S,4-Guanidinobutylisothiuronium bromide hydrobromide, 2-(4-Guanidinobutyl)-2-thiopseudourea dihydrobromide, Carbamimidothioic acid, 4-((aminoiminomethyl)amino)butyl ester, dihydrobromide, Pseudourea,2-(4-guanidinobutyl)-2-thio-,dihydrobromide
| Molecular Formula | C6H17Br2N5S |
|---|---|
| Molecular Weight | 348.96 g/mol |
| LogP | 0.82247 |
| Topological Polar Surface Area | 114.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.95715 |
| Heavy Atoms | 14 |
| Complexity | 171.6048 |
Chemical Identifiers
| CAS Number | 100911-93-1 |
|---|---|
| SMILES | C(CCSC(=N)N)CN=C(N)N.Br.Br |
Product Overview
Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide (CAS 100911-93-1), with molecular formula C6H17Br2N5S and molecular weight 348.96 g/mol. IUPAC: 4-(diaminomethylideneamino)butyl carbamimidothioate;dihydrobromide.
Chemical Property Profile of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide
Property Insights of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide
The XLogP value of 0.82247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide. The TPSA of 114.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide?
The CAS number of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide is 100911-93-1.
What is the molecular formula of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide?
The molecular formula of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide is C6H17Br2N5S.
What is the molecular weight of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide?
The molecular weight of Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide is 348.96 g/mol.
Where can I buy Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide?
You can request a quote for Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(4-guanidinobutyl)-2-thio-, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.