![1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- structure](/static/products/4053/4053-08-1.webp)
1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-
TL;DR: 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- (CAS 4053-08-1) is a chemical compound with molecular formula C12H5ClO3 and molecular weight 231.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Also Known As: 4-Chloro-1,8-naphthalic anhydride, 6-Chlorobenzo[de]isochromene-1,3-dione, 4-Chloronaphthalic anhydride, 4-Chloronapthalic anhydride, 2-Buten-1-ol
| Molecular Formula | C12H5ClO3 |
|---|---|
| Molecular Weight | 231.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.99272 |
| Heavy Atoms | 16 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 4053-08-1 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Cl |
| InChIKey | UJEUBSWHCGDJQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- (CAS 4053-08-1), with molecular formula C12H5ClO3 and molecular weight 231.99 g/mol. IUPAC: 8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
Chemical Property Profile of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-
Property Insights of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-
The XLogP value of 3.2 indicates that 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- 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 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-?
The CAS number of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- is 4053-08-1.
What is the molecular formula of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-?
The molecular formula of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- is C12H5ClO3.
What is the molecular weight of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-?
The molecular weight of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- is 231.99 g/mol.
Where can I buy 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-?
You can request a quote for 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.