2-丁基-2-硫代假脲二丁基磷酸盐
TL;DR: 2-丁基-2-硫代假脲二丁基磷酸盐 (CAS 3027-43-8) is a chemical compound with molecular formula C13H31N2O4PS and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁基-2-硫代假脲二丁基磷酸盐
butyl carbamimidothioate;dibutyl hydrogen phosphate
Also Known As: Dibutylphosphate S-butyl-isothiuronium, Pseudourea, 2-butyl-2-thio-, dibutylphosphate, 2-Butyl-2-thiopseudourea dibutylphosphate, butyl carbamimidothioate,dibutyl hydrogen phosphate, butyl carbamimidothioate- dibutyl hydrogen phosphate(1:1)
| Molecular Formula | C13H31N2O4PS |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 4.13337 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 342.17422 |
| Heavy Atoms | 21 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3027-43-8 |
|---|---|
| SMILES | CCCCOP(=O)(O)OCCCC.CCCCSC(=N)N |
| InChIKey | SUDLUXBNOZCRIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁基-2-硫代假脲二丁基磷酸盐 (CAS 3027-43-8), with molecular formula C13H31N2O4PS and molecular weight 342.17 g/mol. IUPAC: butyl carbamimidothioate;dibutyl hydrogen phosphate.
Chemical Property Profile of 2-丁基-2-硫代假脲二丁基磷酸盐
Property Insights of 2-丁基-2-硫代假脲二丁基磷酸盐
The XLogP value of 4.13337 indicates that 2-丁基-2-硫代假脲二丁基磷酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-丁基-2-硫代假脲二丁基磷酸盐. Following Lipinski's Rule of Five, 2-丁基-2-硫代假脲二丁基磷酸盐 has 3 hydrogen bond donor(s) and 6 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 2-丁基-2-硫代假脲二丁基磷酸盐?
The CAS number of 2-丁基-2-硫代假脲二丁基磷酸盐 is 3027-43-8.
What is the molecular formula of 2-丁基-2-硫代假脲二丁基磷酸盐?
The molecular formula of 2-丁基-2-硫代假脲二丁基磷酸盐 is C13H31N2O4PS.
What is the molecular weight of 2-丁基-2-硫代假脲二丁基磷酸盐?
The molecular weight of 2-丁基-2-硫代假脲二丁基磷酸盐 is 342.17 g/mol.
Where can I buy 2-丁基-2-硫代假脲二丁基磷酸盐?
You can request a quote for 2-丁基-2-硫代假脲二丁基磷酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁基-2-硫代假脲二丁基磷酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2-丁基-2-硫代假脲二丁基磷酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.