3,8-dichloropyrene-1,6(3aH,8aH)-dione
TL;DR: 3,8-dichloropyrene-1,6(3aH,8aH)-dione (CAS 405270-72-6) is a chemical compound with molecular formula C16H8Cl2O2 and molecular weight 301.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dichloro-3a,8a-dihydropyrene-1,6-dione
Also Known As: 3,8-dichloropyrene-1,6(3aH,8aH)-dione, 3,8-dichloro-3a,8a-dihydropyrene-1,6-dione, 3,8-dichloro-3a,8a-dihydro-1,6-pyrenedione, 3,8-dichloro-1,3a,6,8a-tetrahydropyrene-1,6-dione, F0020-1909
| Molecular Formula | C16H8Cl2O2 |
|---|---|
| Molecular Weight | 301.99 g/mol |
| LogP | 3.3624 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.99014 |
| Heavy Atoms | 20 |
| Complexity | 706.2986 |
Chemical Identifiers
| CAS Number | 405270-72-6 |
|---|---|
| SMILES | C1=CC2=C3C(C=CC4=C3C1C(=CC4=O)Cl)C(=CC2=O)Cl |
Product Overview
3,8-dichloropyrene-1,6(3aH,8aH)-dione (CAS 405270-72-6), with molecular formula C16H8Cl2O2 and molecular weight 301.99 g/mol. IUPAC: 3,8-dichloro-3a,8a-dihydropyrene-1,6-dione.
Chemical Property Profile of 3,8-dichloropyrene-1,6(3aH,8aH)-dione
Property Insights of 3,8-dichloropyrene-1,6(3aH,8aH)-dione
The XLogP value of 3.3624 indicates that 3,8-dichloropyrene-1,6(3aH,8aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3,8-dichloropyrene-1,6(3aH,8aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-dichloropyrene-1,6(3aH,8aH)-dione has 0 hydrogen bond donor(s) and 2 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 3,8-dichloropyrene-1,6(3aH,8aH)-dione?
The CAS number of 3,8-dichloropyrene-1,6(3aH,8aH)-dione is 405270-72-6.
What is the molecular formula of 3,8-dichloropyrene-1,6(3aH,8aH)-dione?
The molecular formula of 3,8-dichloropyrene-1,6(3aH,8aH)-dione is C16H8Cl2O2.
What is the molecular weight of 3,8-dichloropyrene-1,6(3aH,8aH)-dione?
The molecular weight of 3,8-dichloropyrene-1,6(3aH,8aH)-dione is 301.99 g/mol.
Where can I buy 3,8-dichloropyrene-1,6(3aH,8aH)-dione?
You can request a quote for 3,8-dichloropyrene-1,6(3aH,8aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-dichloropyrene-1,6(3aH,8aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,8-dichloropyrene-1,6(3aH,8aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.