碳酸-3-氯丙烯酯
TL;DR: 碳酸-3-氯丙烯酯 (CAS 2463-45-8) is a chemical compound with molecular formula C4H5ClO3 and molecular weight 135.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸-3-氯丙烯酯
4-chloro-1,3-dioxan-2-one
Also Known As: Epichlorohydrin carbonate, 4-(Chloromethyl)-1,3-dioxolan-2-one, 4-chloro-1,3-dioxan-2-one, 1,3-Dioxolan-2-one, 4-(chloromethyl)-, Carbonic acid, (chloromethyl)ethylene ester
| Molecular Formula | C4H5ClO3 |
|---|---|
| Molecular Weight | 135.99 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.99272 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 2463-45-8 |
|---|---|
| SMILES | C1COC(=O)OC1Cl |
| InChIKey | HSONPEIWAFGLCA-UHFFFAOYSA-N |
Product Overview
碳酸-3-氯丙烯酯 (CAS 2463-45-8), with molecular formula C4H5ClO3 and molecular weight 135.99 g/mol. IUPAC: 4-chloro-1,3-dioxan-2-one.
Chemical Property Profile of 碳酸-3-氯丙烯酯
Property Insights of 碳酸-3-氯丙烯酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碳酸-3-氯丙烯酯. With a topological polar surface area (TPSA) of 35.5 Ų, 碳酸-3-氯丙烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳酸-3-氯丙烯酯 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 碳酸-3-氯丙烯酯?
The CAS number of 碳酸-3-氯丙烯酯 is 2463-45-8.
What is the molecular formula of 碳酸-3-氯丙烯酯?
The molecular formula of 碳酸-3-氯丙烯酯 is C4H5ClO3.
What is the molecular weight of 碳酸-3-氯丙烯酯?
The molecular weight of 碳酸-3-氯丙烯酯 is 135.99 g/mol.
Where can I buy 碳酸-3-氯丙烯酯?
You can request a quote for 碳酸-3-氯丙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸-3-氯丙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 碳酸-3-氯丙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.