甲氧沙林
TL;DR: 甲氧沙林 (CAS 298-81-7) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氧沙林
9-methoxyfuro[3,2-g]chromen-7-one
Also Known As: methoxsalen, 8-Methoxypsoralen, XANTHOTOXIN, Meladinine, Oxsoralen
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| Melting Point | 147.8 °C |
| Solubility | less than 1 mg/mL at 59 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 298-81-7 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2 |
| InChIKey | QXKHYNVANLEOEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲氧沙林 (CAS 298-81-7), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: 9-methoxyfuro[3,2-g]chromen-7-one.
Chemical Property Profile of 甲氧沙林
Property Insights of 甲氧沙林
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氧沙林. With a topological polar surface area (TPSA) of 48.7 Ų, 甲氧沙林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲氧沙林 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 甲氧沙林?
The CAS number of 甲氧沙林 is 298-81-7.
What is the molecular formula of 甲氧沙林?
The molecular formula of 甲氧沙林 is C12H8O4.
What is the molecular weight of 甲氧沙林?
The molecular weight of 甲氧沙林 is 216.04 g/mol.
Where can I buy 甲氧沙林?
You can request a quote for 甲氧沙林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氧沙林?
Yes, KEHONG BIO provides custom synthesis services for 甲氧沙林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.