3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one
TL;DR: 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one (CAS 5196-75-8) is a chemical compound with molecular formula C10H6Cl2O3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-4-methoxychromen-2-one
Also Known As: 3,6-dichloro-4-methoxychromen-2-one, NCI60_001349, 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one, 3,6-dichloro-4-methoxy-2H-chromen-2-one
| Molecular Formula | C10H6Cl2O3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.9694 |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 5196-75-8 |
|---|---|
| SMILES | COC1=C(C(=O)OC2=C1C=C(C=C2)Cl)Cl |
| InChIKey | OKYGZJHSECWTGN-UHFFFAOYSA-N |
Product Overview
3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one (CAS 5196-75-8), with molecular formula C10H6Cl2O3 and molecular weight 243.97 g/mol. IUPAC: 3,6-dichloro-4-methoxychromen-2-one.
Chemical Property Profile of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one
Property Insights of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one
The XLogP value of 3.1 indicates that 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one 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 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one?
The CAS number of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one is 5196-75-8.
What is the molecular formula of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one?
The molecular formula of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one is C10H6Cl2O3.
What is the molecular weight of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one?
The molecular weight of 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one is 243.97 g/mol.
Where can I buy 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one?
You can request a quote for 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.