RefChem:324451
TL;DR: RefChem:324451 (CAS 41651-71-2) is a chemical compound with molecular formula C14H16N3O5PS and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 4-(diaminomethylideneamino)benzenecarbothioate;phosphoric acid
Also Known As: S-Phenyl 4-((aminoiminoethyl)amino)benzenecarbothioate phosphate (1:1), Benzenecarbothioic acid, 4-((aminoiminoethyl)amino)-, S-phenyl ester, phosphate (1:1), S-phenyl 4-(diaminomethylideneamino)benzenecarbothioate; phosphoric acid, Phosphoric acid--S-phenyl 4-[(diaminomethylidene)amino]benzene-1-carbothioate (1/1), RefChem:324451
| Molecular Formula | C14H16N3O5PS |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 1.5954 |
| Topological Polar Surface Area | 159.23 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.05484 |
| Heavy Atoms | 24 |
| Complexity | 734.50037 |
Chemical Identifiers
| CAS Number | 41651-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)N=C(N)N.OP(=O)(O)O |
Product Overview
RefChem:324451 (CAS 41651-71-2), with molecular formula C14H16N3O5PS and molecular weight 369.05 g/mol. IUPAC: S-phenyl 4-(diaminomethylideneamino)benzenecarbothioate;phosphoric acid.
Chemical Property Profile of RefChem:324451
Property Insights of RefChem:324451
The XLogP value of 1.5954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:324451. The TPSA of 159.23 Ų indicates high polarity, suggesting RefChem:324451 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:324451 has 5 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 RefChem:324451?
The CAS number of RefChem:324451 is 41651-71-2.
What is the molecular formula of RefChem:324451?
The molecular formula of RefChem:324451 is C14H16N3O5PS.
What is the molecular weight of RefChem:324451?
The molecular weight of RefChem:324451 is 369.05 g/mol.
Where can I buy RefChem:324451?
You can request a quote for RefChem:324451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:324451?
Yes, KEHONG BIO provides custom synthesis services for RefChem:324451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.