Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide
TL;DR: Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide (CAS 14122-45-3) is a chemical compound with molecular formula C10H15BrN2OS and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenoxypropyl carbamimidothioate;hydrobromide
Also Known As: [(3-Phenoxypropyl)sulfanyl]methanimidamide hydrobromide|KS-00001OFX|Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide|2-(3-Phenoxypropyl)-2-thiopseudourea hydrobromide|3-phenoxypropyl carbamimidothioate hydrobromide|3-phenoxypropyl carbamimidothioate;hydrobromide|2-(3-phenoxypropyl)isothiourea;hydrobromide|3-Phenoxypropyl carbamimidothioate--hydrogen bromide (1/1)|Carbamimidothioic acid, 3-phenoxypropyl ester, monohydrobromide|CARBAMIMIDOTHIOIC ACID,3-PHENOXYPROPYL ESTER, MONOHYDROBROMIDE (9CI)|RefChem:375745|DTXCID7084099|MFCD01694544|C10H15BrN2OS
| Molecular Formula | C10H15BrN2OS |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 2.66007 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.00885 |
| Heavy Atoms | 15 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 14122-45-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCSC(=N)N.Br |
| InChIKey | HYACTWZAELGVCE-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide (CAS 14122-45-3), with molecular formula C10H15BrN2OS and molecular weight 290.01 g/mol. IUPAC: 3-phenoxypropyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide
Property Insights of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide
The XLogP value of 2.66007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide has 3 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-(3-phenoxypropyl)-2-thio-, hydrobromide?
The CAS number of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide is 14122-45-3.
What is the molecular formula of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide?
The molecular formula of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide is C10H15BrN2OS.
What is the molecular weight of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide?
The molecular weight of Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide is 290.01 g/mol.
Where can I buy Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide?
You can request a quote for Pseudourea, 2-(3-phenoxypropyl)-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-(3-phenoxypropyl)-2-thio-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(3-phenoxypropyl)-2-thio-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.