2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide
TL;DR: 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide (CAS 856-51-9) is a chemical compound with molecular formula C19H26Br2N4S2 and molecular weight 532.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate;dihydrobromide
Also Known As: Carbamimidothioic acid, 1,5-pentanediyl ester, dihydrobromide, 1,5-Pentamethylene-bis-phenyl isothiuronium dihydrobromide, 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide, Carbamimidothioic acid, phenyl-, 1,5-pentanediyl ester, dihydrobromide, Pseudourea, 2,2'-pentamethylenebis(1-phenyl-2-thio-, dihydrobromide
| Molecular Formula | C19H26Br2N4S2 |
|---|---|
| Molecular Weight | 532.00 g/mol |
| LogP | 6.0717 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.9966 |
| Heavy Atoms | 27 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 856-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(N)SCCCCCSC(=NC2=CC=CC=C2)N.Br.Br |
| InChIKey | OGCYCSOSVUPJJY-UHFFFAOYSA-N |
Product Overview
2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide (CAS 856-51-9), with molecular formula C19H26Br2N4S2 and molecular weight 532.00 g/mol. IUPAC: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate;dihydrobromide.
Chemical Property Profile of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide
Property Insights of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide
The XLogP value of 6.0717 indicates that 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide. Following Lipinski's Rule of Five, 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide?
The CAS number of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide is 856-51-9.
What is the molecular formula of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide?
The molecular formula of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide is C19H26Br2N4S2.
What is the molecular weight of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide?
The molecular weight of 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide is 532.00 g/mol.
Where can I buy 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide?
You can request a quote for 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Pentamethylenebis(1-phenyl-2-thiopseudourea) dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.