4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione
TL;DR: 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione (CAS 50817-72-6) 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.
6-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Also Known As: EINECS 256-788-3, 2-chloro-1,8-naphthalic anhydride, 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione, 4-chloro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione, 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 4-chloro-
| Molecular Formula | C12H5ClO3 |
|---|---|
| Molecular Weight | 231.99 g/mol |
| LogP | 2.8038 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.99272 |
| Heavy Atoms | 16 |
| Complexity | 645.9991 |
Chemical Identifiers
| CAS Number | 50817-72-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)OC(=O)C3=C(C=C2)Cl |
Product Overview
4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione (CAS 50817-72-6), with molecular formula C12H5ClO3 and molecular weight 231.99 g/mol. IUPAC: 6-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione.
Chemical Property Profile of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione
Property Insights of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione
The XLogP value of 2.8038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione 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-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione?
The CAS number of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione is 50817-72-6.
What is the molecular formula of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione?
The molecular formula of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione is C12H5ClO3.
What is the molecular weight of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione?
The molecular weight of 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione is 231.99 g/mol.
Where can I buy 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione?
You can request a quote for 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1H,3H-naphtho(1,8-cd)pyran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.