5-(Chloromethyl)meconin
TL;DR: 5-(Chloromethyl)meconin (CAS 29809-17-4) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 5-(CHLOROMETHYL)MECONIN, 5- MECONIN, 5-(chloromethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one, 5-(chloromethyl)-6,7-dimethoxy-2-benzofuran-1(3H)-one, 5-(chloromethyl)-6,7-dimethoxy-3H-isobenzofuran-1-one
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 2.113 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 442.10098 |
Chemical Identifiers
| CAS Number | 29809-17-4 |
|---|---|
| SMILES | COC1=C(C=C2COC(=O)C2=C1OC)CCl |
Product Overview
5-(Chloromethyl)meconin (CAS 29809-17-4), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: 5-(chloromethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 5-(Chloromethyl)meconin
Property Insights of 5-(Chloromethyl)meconin
The XLogP value of 2.113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)meconin. With a topological polar surface area (TPSA) of 44.76 Ų, 5-(Chloromethyl)meconin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)meconin has 0 hydrogen bond donor(s) and 4 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 5-(Chloromethyl)meconin?
The CAS number of 5-(Chloromethyl)meconin is 29809-17-4.
What is the molecular formula of 5-(Chloromethyl)meconin?
The molecular formula of 5-(Chloromethyl)meconin is C11H11ClO4.
What is the molecular weight of 5-(Chloromethyl)meconin?
The molecular weight of 5-(Chloromethyl)meconin is 242.03 g/mol.
Where can I buy 5-(Chloromethyl)meconin?
You can request a quote for 5-(Chloromethyl)meconin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)meconin?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)meconin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.