Lauryl 3-mercaptopropionate
TL;DR: Lauryl 3-mercaptopropionate (CAS 6380-94-5) is a chemical compound with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Lauryl 3-mercaptopropionate, AB00106581-01, Methyl 4-(4-hydroxy-3-nitro-phenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate, methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, methyl 4-(4-hydroxy-3-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C14H15N3O6 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 1.4435 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0961 |
| Heavy Atoms | 23 |
| Complexity | 727.22284 |
Chemical Identifiers
| CAS Number | 6380-94-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC |
Product Overview
Lauryl 3-mercaptopropionate (CAS 6380-94-5), with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol. IUPAC: methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of Lauryl 3-mercaptopropionate
Property Insights of Lauryl 3-mercaptopropionate
The XLogP value of 1.4435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lauryl 3-mercaptopropionate. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Lauryl 3-mercaptopropionate. Following Lipinski's Rule of Five, Lauryl 3-mercaptopropionate has 2 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 Lauryl 3-mercaptopropionate?
The CAS number of Lauryl 3-mercaptopropionate is 6380-94-5.
What is the molecular formula of Lauryl 3-mercaptopropionate?
The molecular formula of Lauryl 3-mercaptopropionate is C14H15N3O6.
What is the molecular weight of Lauryl 3-mercaptopropionate?
The molecular weight of Lauryl 3-mercaptopropionate is 321.10 g/mol.
Where can I buy Lauryl 3-mercaptopropionate?
You can request a quote for Lauryl 3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lauryl 3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for Lauryl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.