1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)
TL;DR: 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) (CAS 63679-72-1) is a chemical compound with molecular formula C6H15Br2N3O2S and molecular weight 350.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-4-carbamimidoylsulfanylbutyl) formate;dihydrobromide
Also Known As: 4-Amino-4-carboxy-n-butyl-isothiouronium dibromide, Pseudourea, 2-thio-, 4-amino-4-carboxy-n-butyl-, dibromide, 4-amino-4-(formyloxy)butyl carbamimidothioate dihydrobromide, Pseudourea, 2-(4-amino-4-carboxybutyl)-2-thio-, dihydrobromide, (1-amino-4-carbamimidoylsulfanylbutyl) formate dihydrobromide
| Molecular Formula | C6H15Br2N3O2S |
|---|---|
| Molecular Weight | 350.93 g/mol |
| LogP | 1.01 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.92313 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 63679-72-1 |
|---|---|
| SMILES | C(CC(N)OC=O)CSC(=N)N.Br.Br |
| InChIKey | RCHMSSKUPCCUTN-UHFFFAOYSA-N |
Product Overview
1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) (CAS 63679-72-1), with molecular formula C6H15Br2N3O2S and molecular weight 350.93 g/mol. IUPAC: (1-amino-4-carbamimidoylsulfanylbutyl) formate;dihydrobromide.
Chemical Property Profile of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)
Property Insights of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)
The XLogP value of 1.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2). Following Lipinski's Rule of Five, 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) has 5 hydrogen bond donor(s) and 5 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 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)?
The CAS number of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) is 63679-72-1.
What is the molecular formula of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)?
The molecular formula of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) is C6H15Br2N3O2S.
What is the molecular weight of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)?
The molecular weight of 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) is 350.93 g/mol.
Where can I buy 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)?
You can request a quote for 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--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 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-(carbamimidoylsulfanyl)butyl formate--hydrogen bromide (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.