4-氯苯甲酸三甲基硅酯
TL;DR: 4-氯苯甲酸三甲基硅酯 (CAS 25436-27-5) is a chemical compound with molecular formula C10H13ClO2Si and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯甲酸三甲基硅酯
trimethylsilyl 4-chlorobenzoate
Also Known As: Trimethylsilyl 4-chlorobenzoate, Benzoic acid, 4-chloro-, trimethylsilyl ester, 4-Chlorobenzoic acid, TMS derivative, 4-Chlorobenzoicacidtrimethylsilylester, Trimethylsilyl 4-chlorobenzoate #
| Molecular Formula | C10H13ClO2Si |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.3317 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03734 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 25436-27-5 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | XGABXNUFKZKQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯甲酸三甲基硅酯 (CAS 25436-27-5), with molecular formula C10H13ClO2Si and molecular weight 228.04 g/mol. IUPAC: trimethylsilyl 4-chlorobenzoate.
Chemical Property Profile of 4-氯苯甲酸三甲基硅酯
Property Insights of 4-氯苯甲酸三甲基硅酯
The XLogP value of 3.3317 indicates that 4-氯苯甲酸三甲基硅酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-氯苯甲酸三甲基硅酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯甲酸三甲基硅酯 has 0 hydrogen bond donor(s) and 2 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 4-氯苯甲酸三甲基硅酯?
The CAS number of 4-氯苯甲酸三甲基硅酯 is 25436-27-5.
What is the molecular formula of 4-氯苯甲酸三甲基硅酯?
The molecular formula of 4-氯苯甲酸三甲基硅酯 is C10H13ClO2Si.
What is the molecular weight of 4-氯苯甲酸三甲基硅酯?
The molecular weight of 4-氯苯甲酸三甲基硅酯 is 228.04 g/mol.
Where can I buy 4-氯苯甲酸三甲基硅酯?
You can request a quote for 4-氯苯甲酸三甲基硅酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯甲酸三甲基硅酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯甲酸三甲基硅酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.