PCB 101-13C12
TL;DR: PCB 101-13C12 (CAS 104130-39-4) is a chemical compound with molecular formula C12H5Cl5 and molecular weight 335.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-5-(2,5-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Also Known As: PCB 101-13C12, PCB 101, 13C12-PCB 101, K 101-13C12, 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
| Molecular Formula | C12H5Cl5 |
|---|---|
| Molecular Weight | 335.92 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.92365 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 104130-39-4 |
|---|---|
| SMILES | [13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1Cl)[13C]2=[13CH][13C](=[13C]([13CH]=[13C]2Cl)Cl)Cl)Cl |
| InChIKey | LAHWLEDBADHJGA-WCGVKTIYSA-N |
Product Overview
PCB 101-13C12 (CAS 104130-39-4), with molecular formula C12H5Cl5 and molecular weight 335.92 g/mol. IUPAC: 1,2,4-trichloro-5-(2,5-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene.
Chemical Property Profile of PCB 101-13C12
Property Insights of PCB 101-13C12
The XLogP value of 6.5 indicates that PCB 101-13C12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, PCB 101-13C12 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PCB 101-13C12 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 PCB 101-13C12?
The CAS number of PCB 101-13C12 is 104130-39-4.
What is the molecular formula of PCB 101-13C12?
The molecular formula of PCB 101-13C12 is C12H5Cl5.
What is the molecular weight of PCB 101-13C12?
The molecular weight of PCB 101-13C12 is 335.92 g/mol.
Where can I buy PCB 101-13C12?
You can request a quote for PCB 101-13C12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PCB 101-13C12?
Yes, KEHONG BIO provides custom synthesis services for PCB 101-13C12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.