Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)
TL;DR: Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) (CAS 68441-65-6) is a chemical compound with molecular formula C9H6Cl6 and molecular weight 323.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-diene;1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
Also Known As: C5-Cl6.x-(C4-H6)x-, 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-, adduct with 1,3-butadiene homopolymer, buta-1,3-diene; 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene, Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)
| Molecular Formula | C9H6Cl6 |
|---|---|
| Molecular Weight | 323.86 g/mol |
| LogP | 5.9107 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.86008 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 68441-65-6 |
|---|---|
| SMILES | C=CC=C.C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl |
| InChIKey | BRJDDERBYVUFJL-UHFFFAOYSA-N |
Product Overview
Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) (CAS 68441-65-6), with molecular formula C9H6Cl6 and molecular weight 323.86 g/mol. IUPAC: buta-1,3-diene;1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene.
Chemical Property Profile of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)
Property Insights of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)
The XLogP value of 5.9107 indicates that Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) 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 Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)?
The CAS number of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) is 68441-65-6.
What is the molecular formula of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)?
The molecular formula of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) is C9H6Cl6.
What is the molecular weight of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)?
The molecular weight of Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) is 323.86 g/mol.
Where can I buy Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)?
You can request a quote for Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-diene--1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.