Propan-2-yl 5-(chloromethyl)furan-2-carboxylate
TL;DR: Propan-2-yl 5-(chloromethyl)furan-2-carboxylate (CAS 90416-47-0) is a chemical compound with molecular formula C9H11ClO3 and molecular weight 202.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(chloromethyl)furan-2-carboxylate
Also Known As: propan-2-yl 5-(chloromethyl)furan-2-carboxylate, isopropyl 5-(chloromethyl)furan-2-carboxylate, 5-Chloromethyl-furan-2-carboxylic acid isopropyl ester, BB_SC-8771, BB 0241617
| Molecular Formula | C9H11ClO3 |
|---|---|
| Molecular Weight | 202.04 g/mol |
| LogP | 2.5836 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.03967 |
| Heavy Atoms | 13 |
| Complexity | 290.80484 |
Chemical Identifiers
| CAS Number | 90416-47-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(O1)CCl |
Product Overview
Propan-2-yl 5-(chloromethyl)furan-2-carboxylate (CAS 90416-47-0), with molecular formula C9H11ClO3 and molecular weight 202.04 g/mol. IUPAC: propan-2-yl 5-(chloromethyl)furan-2-carboxylate.
Chemical Property Profile of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate
Property Insights of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate
The XLogP value of 2.5836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 5-(chloromethyl)furan-2-carboxylate. With a topological polar surface area (TPSA) of 39.44 Ų, Propan-2-yl 5-(chloromethyl)furan-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 5-(chloromethyl)furan-2-carboxylate 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 Propan-2-yl 5-(chloromethyl)furan-2-carboxylate?
The CAS number of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate is 90416-47-0.
What is the molecular formula of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate?
The molecular formula of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate is C9H11ClO3.
What is the molecular weight of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate?
The molecular weight of Propan-2-yl 5-(chloromethyl)furan-2-carboxylate is 202.04 g/mol.
Where can I buy Propan-2-yl 5-(chloromethyl)furan-2-carboxylate?
You can request a quote for Propan-2-yl 5-(chloromethyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 5-(chloromethyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 5-(chloromethyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.