Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide
TL;DR: Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide (CAS 14122-46-4) is a chemical compound with molecular formula C13H16BrN3O2S and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)butyl carbamimidothioate;hydrobromide
Also Known As: 2-(4-Phthalimidobutyl)-2-thiopseudourea hydrobromide, Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide, 4-(1,3-dioxoisoindol-2-yl)butyl carbamimidothioate hydrobromide, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl carbamimidothioate--hydrogen bromide (1/1), Carbamimidothioic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)butyl ester, monohydrobromide
| Molecular Formula | C13H16BrN3O2S |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 2.26737 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.01465 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 14122-46-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSC(=N)N.Br |
| InChIKey | WQGHDCNSCAPODD-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide (CAS 14122-46-4), with molecular formula C13H16BrN3O2S and molecular weight 357.01 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)butyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide
Property Insights of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide
The XLogP value of 2.26737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide has 3 hydrogen bond donor(s) and 4 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-phthalimidobutyl)-2-thio-, hydrobromide?
The CAS number of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide is 14122-46-4.
What is the molecular formula of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide?
The molecular formula of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide is C13H16BrN3O2S.
What is the molecular weight of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide?
The molecular weight of Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide is 357.01 g/mol.
Where can I buy Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide?
You can request a quote for Pseudourea, 2-(4-phthalimidobutyl)-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-(4-phthalimidobutyl)-2-thio-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.