![Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate structure](/static/products/3459/345991-81-3.webp)
Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate
TL;DR: Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate (CAS 345991-81-3) is a chemical compound with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylate
Also Known As: METHYL 5-{[(CHLOROACETYL)AMINO]METHYL}-2-FUROATE, CHEMBRDG-BB 6974944, methyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylate, Methyl 5-([(chloroacetyl)amino]methyl)-2-furoate, METHYL 5-[(2-CHLOROACETAMIDO)METHYL]FURAN-2-CARBOXYLATE
| Molecular Formula | C9H10ClNO4 |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.02983 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 345991-81-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CNC(=O)CCl |
| InChIKey | GCUIIZROYFZOCF-UHFFFAOYSA-N |
Product Overview
Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate (CAS 345991-81-3), with molecular formula C9H10ClNO4 and molecular weight 231.03 g/mol. IUPAC: methyl 5-[[(2-chloroacetyl)amino]methyl]furan-2-carboxylate.
Chemical Property Profile of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate
Property Insights of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate. Following Lipinski's Rule of Five, Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate has 1 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 Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate?
The CAS number of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate is 345991-81-3.
What is the molecular formula of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate?
The molecular formula of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate is C9H10ClNO4.
What is the molecular weight of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate?
The molecular weight of Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate is 231.03 g/mol.
Where can I buy Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate?
You can request a quote for Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-{[(chloroacetyl)amino]methyl}-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.