Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester
TL;DR: Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester (CAS 63917-80-6) is a chemical compound with molecular formula C18H30N2OS and molecular weight 322.2079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-[3-(dibutylamino)propyl] 4-aminobenzenecarbothioate
Also Known As: USAF A-9869, 3-Di-n-butylaminopropyl-p-aminothiobenzoate, BENZOIC ACID, p-AMINOTHIO-, 3-(DIBUTYLAMINO)PROPYL ESTER, O-[3-(dibutylamino)propyl] 4-aminobenzenecarbothioate, 3-14-00-01170 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C18H30N2OS |
| Molecular Weight | 322.2079 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 322.2079 Da |
| Heavy Atoms | 22 |
| Complexity | 283.0 |
| SMILES | CCCCN(CCCC)CCCOC(=S)C1=CC=C(C=C1)N |
| InChIKey | USDBVRPFFFHQMD-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester
Property Insights of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester
The XLogP value of 4.6 indicates that Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester?
The CAS number of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester is 63917-80-6.
What is the molecular formula of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester?
The molecular formula of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester is C18H30N2OS.
What is the molecular weight of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester?
The molecular weight of Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester is 322.2079 g/mol.
Where can I buy Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester?
You can request a quote for Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.