4-氧代-4H-1-苯并吡喃-2-甲酰氯
TL;DR: 4-氧代-4H-1-苯并吡喃-2-甲酰氯 (CAS 5112-47-0) is a chemical compound with molecular formula C10H5ClO3 and molecular weight 207.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-4H-1-苯并吡喃-2-甲酰氯
4-oxochromene-2-carbonyl chloride
Also Known As: 4-Oxo-4H-chromene-2-carbonyl chloride, 4-oxochromene-2-carbonyl chloride, 4-Oxo-4H-1-benzopyran-2-carbonyl chloride, 2-(Chlorocarbonyl)chromone, 2-Chromonecarbonyl chloride
| Molecular Formula | C10H5ClO3 |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.99272 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5112-47-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)Cl |
| InChIKey | FAEHWELEABAGRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代-4H-1-苯并吡喃-2-甲酰氯 (CAS 5112-47-0), with molecular formula C10H5ClO3 and molecular weight 207.99 g/mol. IUPAC: 4-oxochromene-2-carbonyl chloride.
Chemical Property Profile of 4-氧代-4H-1-苯并吡喃-2-甲酰氯
Property Insights of 4-氧代-4H-1-苯并吡喃-2-甲酰氯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代-4H-1-苯并吡喃-2-甲酰氯. With a topological polar surface area (TPSA) of 43.4 Ų, 4-氧代-4H-1-苯并吡喃-2-甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代-4H-1-苯并吡喃-2-甲酰氯 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 4-氧代-4H-1-苯并吡喃-2-甲酰氯?
The CAS number of 4-氧代-4H-1-苯并吡喃-2-甲酰氯 is 5112-47-0.
What is the molecular formula of 4-氧代-4H-1-苯并吡喃-2-甲酰氯?
The molecular formula of 4-氧代-4H-1-苯并吡喃-2-甲酰氯 is C10H5ClO3.
What is the molecular weight of 4-氧代-4H-1-苯并吡喃-2-甲酰氯?
The molecular weight of 4-氧代-4H-1-苯并吡喃-2-甲酰氯 is 207.99 g/mol.
Where can I buy 4-氧代-4H-1-苯并吡喃-2-甲酰氯?
You can request a quote for 4-氧代-4H-1-苯并吡喃-2-甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代-4H-1-苯并吡喃-2-甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-4H-1-苯并吡喃-2-甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.