1,3-Dichloropyrene
TL;DR: 1,3-Dichloropyrene (CAS 94850-11-0) is a chemical compound with molecular formula C16H8Cl2 and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropyrene
Also Known As: 1,3-Dichloropyrene, Pyrene, 1,3-dichloro-, 1,3-dichloro-pyrene, Pyrene, 1,3-dichloro-, (-)-, 1,2,3,7,8,9,10,11,12,12a-Decahydrobenzo(b)pyren-11-ol
| Molecular Formula | C16H8Cl2 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.0003 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 94850-11-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)Cl)Cl |
| InChIKey | XYLXEWWJLMKRCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloropyrene (CAS 94850-11-0), with molecular formula C16H8Cl2 and molecular weight 270.00 g/mol. IUPAC: 1,3-dichloropyrene.
Chemical Property Profile of 1,3-Dichloropyrene
Property Insights of 1,3-Dichloropyrene
The XLogP value of 6.3 indicates that 1,3-Dichloropyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dichloropyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloropyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dichloropyrene?
The CAS number of 1,3-Dichloropyrene is 94850-11-0.
What is the molecular formula of 1,3-Dichloropyrene?
The molecular formula of 1,3-Dichloropyrene is C16H8Cl2.
What is the molecular weight of 1,3-Dichloropyrene?
The molecular weight of 1,3-Dichloropyrene is 270.00 g/mol.
Where can I buy 1,3-Dichloropyrene?
You can request a quote for 1,3-Dichloropyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloropyrene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.