Dipentene
TL;DR: Dipentene (CAS 68957-46-0) is a chemical compound with molecular formula C56H54Br2N4O6S2 and molecular weight 1100.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-(6-bromo-1-ethylbenzo[cd]indol-1-ium-2-yl)-N,N-diethylaniline);naphthalene-1,5-disulfonate
Also Known As: Dipentene, Benz(cd)indolium, 6-bromo-2-(4-(diethylamino)phenyl)-1-ethyl-, 1,5-naphthalenedisulfonate (2:1), bis{6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indolium} naphthalene-1,5-disulfonate, Benz[cd]indolium, 6-bromo-2-[4-(diethylamino)phenyl]-1-ethyl-, 1,5-naphthalenedisulfonate (2:1), Bis{6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenzo[cd]indol-1-ium} naphthalene-1,5-disulfonate
| Molecular Formula | C56H54Br2N4O6S2 |
|---|---|
| Molecular Weight | 1100.19 g/mol |
| LogP | 12.57 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 1102.1831 |
| Heavy Atoms | 70 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 68957-46-0 |
|---|---|
| SMILES | CC[N+]1=C(C2=CC=CC3=C(C=CC1=C32)Br)C4=CC=C(C=C4)N(CC)CC.CC[N+]1=C(C2=CC=CC3=C(C=CC1=C32)Br)C4=CC=C(C=C4)N(CC)CC.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-] |
| InChIKey | NGNRRGHMDOKGBS-UHFFFAOYSA-L |
Product Overview
Dipentene (CAS 68957-46-0), with molecular formula C56H54Br2N4O6S2 and molecular weight 1100.19 g/mol. IUPAC: bis(4-(6-bromo-1-ethylbenzo[cd]indol-1-ium-2-yl)-N,N-diethylaniline);naphthalene-1,5-disulfonate.
Chemical Property Profile of Dipentene
Property Insights of Dipentene
The XLogP value of 12.57 indicates that Dipentene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Dipentene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipentene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dipentene?
The CAS number of Dipentene is 68957-46-0.
What is the molecular formula of Dipentene?
The molecular formula of Dipentene is C56H54Br2N4O6S2.
What is the molecular weight of Dipentene?
The molecular weight of Dipentene is 1100.19 g/mol.
Where can I buy Dipentene?
You can request a quote for Dipentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipentene?
Yes, KEHONG BIO provides custom synthesis services for Dipentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.