1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride
TL;DR: 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride (CAS 4443-58-7) is a chemical compound with molecular formula C31H46Cl2N2O2S and molecular weight 580.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylamino)-1-[7-[5-(diethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one;dihydrochloride
Also Known As: 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride, 1,1'-(9H-Thioxanthene-2,7-diyl)bis(5-(diethylamino)-1-pentanone) dihydrochloride, 1,1'-(9h-thioxanthene-2,7-diyl)bis[5-(diethylamino)pentan-1-one] dihydrochloride, 2,7-Bis[5-(diethylamino)valeryl]thioxanthene dihydrochloride, 5-diethylamino-1-[7-9h-thioxanthen-2-yl]pentan-1-onedihydrochloride
| Molecular Formula | C31H46Cl2N2O2S |
|---|---|
| Molecular Weight | 580.27 g/mol |
| LogP | 7.9752 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 580.2657 |
| Heavy Atoms | 38 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 4443-58-7 |
|---|---|
| SMILES | CCN(CC)CCCCC(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)CCCCN(CC)CC.Cl.Cl |
| InChIKey | ADPNEXIJDPHSQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride (CAS 4443-58-7), with molecular formula C31H46Cl2N2O2S and molecular weight 580.27 g/mol. IUPAC: 5-(diethylamino)-1-[7-[5-(diethylamino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one;dihydrochloride.
Chemical Property Profile of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride
Property Insights of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride
The XLogP value of 7.9752 indicates that 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride. Following Lipinski's Rule of Five, 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride?
The CAS number of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride is 4443-58-7.
What is the molecular formula of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride?
The molecular formula of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride is C31H46Cl2N2O2S.
What is the molecular weight of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride?
The molecular weight of 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride is 580.27 g/mol.
Where can I buy 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride?
You can request a quote for 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(5-(diethylamino)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.