Isothiocyanic acid, (p-cetoxyphenyl) ester
TL;DR: Isothiocyanic acid, (p-cetoxyphenyl) ester (CAS 6637-40-7) is a chemical compound with molecular formula C23H37NOS and molecular weight 375.25958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hexadecoxy-4-isothiocyanatobenzene
Also Known As: p-Cetoxyphenylisothiocyanate, 1-hexadecoxy-4-isothiocyanatobenzene, (p-Cetoxyphenyl)isothiocyanate, 4- PHENYLISOTHIOCYANATE, ISOTHIOCYANIC ACID, (p-CETOXYPHENYL) ESTER
Technical Specifications
| Molecular Formula | C23H37NOS |
| Molecular Weight | 375.25958 g/mol |
| XLogP | 11.2 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 375.25958 Da |
| Heavy Atoms | 26 |
| Complexity | 346.0 |
| SMILES | CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N=C=S |
| InChIKey | QZYKAALLMYWYRA-UHFFFAOYSA-N |
Chemical Property Profile of Isothiocyanic acid, (p-cetoxyphenyl) ester
Property Insights of Isothiocyanic acid, (p-cetoxyphenyl) ester
The XLogP value of 11.2 indicates that Isothiocyanic acid, (p-cetoxyphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, Isothiocyanic acid, (p-cetoxyphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiocyanic acid, (p-cetoxyphenyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isothiocyanic acid, (p-cetoxyphenyl) ester?
The CAS number of Isothiocyanic acid, (p-cetoxyphenyl) ester is 6637-40-7.
What is the molecular formula of Isothiocyanic acid, (p-cetoxyphenyl) ester?
The molecular formula of Isothiocyanic acid, (p-cetoxyphenyl) ester is C23H37NOS.
What is the molecular weight of Isothiocyanic acid, (p-cetoxyphenyl) ester?
The molecular weight of Isothiocyanic acid, (p-cetoxyphenyl) ester is 375.25958 g/mol.
Where can I buy Isothiocyanic acid, (p-cetoxyphenyl) ester?
You can request a quote for Isothiocyanic acid, (p-cetoxyphenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiocyanic acid, (p-cetoxyphenyl) ester?
Yes, CoreyChem provides custom synthesis services for Isothiocyanic acid, (p-cetoxyphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.