Pseudourea, 2-heptyl-2-thio-, hydrobromide
TL;DR: Pseudourea, 2-heptyl-2-thio-, hydrobromide (CAS 4270-02-4) is a chemical compound with molecular formula C8H19BrN2S and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl carbamimidothioate;hydrobromide
Also Known As: Heptyl thiouronium bromide, S-Heptylisothiuronium bromide, 2-Heptyl-2-thiopseudourea hydrobromide, heptyl carbamimidothioate hydrobromide, heptyl carbamimidothioate,hydrobromide
| Molecular Formula | C8H19BrN2S |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 3.16137 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.04523 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 4270-02-4 |
|---|---|
| SMILES | CCCCCCCSC(=N)N.Br |
| InChIKey | BSQBYBBYDAUQBD-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-heptyl-2-thio-, hydrobromide (CAS 4270-02-4), with molecular formula C8H19BrN2S and molecular weight 254.05 g/mol. IUPAC: heptyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Pseudourea, 2-heptyl-2-thio-, hydrobromide
Property Insights of Pseudourea, 2-heptyl-2-thio-, hydrobromide
The XLogP value of 3.16137 indicates that Pseudourea, 2-heptyl-2-thio-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-heptyl-2-thio-, hydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-heptyl-2-thio-, hydrobromide has 3 hydrogen bond donor(s) and 2 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-heptyl-2-thio-, hydrobromide?
The CAS number of Pseudourea, 2-heptyl-2-thio-, hydrobromide is 4270-02-4.
What is the molecular formula of Pseudourea, 2-heptyl-2-thio-, hydrobromide?
The molecular formula of Pseudourea, 2-heptyl-2-thio-, hydrobromide is C8H19BrN2S.
What is the molecular weight of Pseudourea, 2-heptyl-2-thio-, hydrobromide?
The molecular weight of Pseudourea, 2-heptyl-2-thio-, hydrobromide is 254.05 g/mol.
Where can I buy Pseudourea, 2-heptyl-2-thio-, hydrobromide?
You can request a quote for Pseudourea, 2-heptyl-2-thio-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-heptyl-2-thio-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-heptyl-2-thio-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.