丁基(4-氯苯基)碳酸酯
TL;DR: 丁基(4-氯苯基)碳酸酯 (CAS 21349-81-5) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基(4-氯苯基)碳酸酯
butyl (4-chlorophenyl) carbonate
Also Known As: butyl (4-chlorophenyl) carbonate, butyl 4-chlorophenyl carbonate, NCIOpen2_003234, Carbonic acid, butyl 4-chlorophenyl ester, Carbonicacid, butyl p-chlorophenyl ester (7CI,8CI)
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 21349-81-5 |
|---|---|
| SMILES | CCCCOC(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | FUBRDBALXONBRA-UHFFFAOYSA-N |
Product Overview
丁基(4-氯苯基)碳酸酯 (CAS 21349-81-5), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: butyl (4-chlorophenyl) carbonate.
Chemical Property Profile of 丁基(4-氯苯基)碳酸酯
Property Insights of 丁基(4-氯苯基)碳酸酯
The XLogP value of 4.0 indicates that 丁基(4-氯苯基)碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 丁基(4-氯苯基)碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基(4-氯苯基)碳酸酯 has 0 hydrogen bond donor(s) and 3 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 丁基(4-氯苯基)碳酸酯?
The CAS number of 丁基(4-氯苯基)碳酸酯 is 21349-81-5.
What is the molecular formula of 丁基(4-氯苯基)碳酸酯?
The molecular formula of 丁基(4-氯苯基)碳酸酯 is C11H13ClO3.
What is the molecular weight of 丁基(4-氯苯基)碳酸酯?
The molecular weight of 丁基(4-氯苯基)碳酸酯 is 228.06 g/mol.
Where can I buy 丁基(4-氯苯基)碳酸酯?
You can request a quote for 丁基(4-氯苯基)碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基(4-氯苯基)碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基(4-氯苯基)碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.