驱蚊灵
TL;DR: 驱蚊灵 (CAS 39589-98-5) is a chemical compound with molecular formula C31H42Cl2N2O2 and molecular weight 544.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
驱蚊灵
4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-fluoren-2-yl]butan-1-one;dihydrochloride
Also Known As: Rmi 10233, KST-1B3901, 1,1'-(9h-fluorene-2,7-diyl)bis[4-(piperidin-1-yl)butan-1-one] dihydrochloride, 1-Butanone, 1,1'-(9H-fluorene-2,7-diyl)bis(4-(1-piperidinyl)-, dihydrochloride, 2,7-bis(4-piperidinobutyryl)fluorene dihydrochloride
| Molecular Formula | C31H42Cl2N2O2 |
|---|---|
| Molecular Weight | 544.26 g/mol |
| LogP | 6.999 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.2623 |
| Heavy Atoms | 37 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 39589-98-5 |
|---|---|
| SMILES | C1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)C(=O)CCCN5CCCCC5.Cl.Cl |
| InChIKey | HDBVBFCLDARZFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
驱蚊灵 (CAS 39589-98-5), with molecular formula C31H42Cl2N2O2 and molecular weight 544.26 g/mol. IUPAC: 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9H-fluoren-2-yl]butan-1-one;dihydrochloride.
Chemical Property Profile of 驱蚊灵
Property Insights of 驱蚊灵
The XLogP value of 6.999 indicates that 驱蚊灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 驱蚊灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 驱蚊灵 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 驱蚊灵?
The CAS number of 驱蚊灵 is 39589-98-5.
What is the molecular formula of 驱蚊灵?
The molecular formula of 驱蚊灵 is C31H42Cl2N2O2.
What is the molecular weight of 驱蚊灵?
The molecular weight of 驱蚊灵 is 544.26 g/mol.
Where can I buy 驱蚊灵?
You can request a quote for 驱蚊灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 驱蚊灵?
Yes, KEHONG BIO provides custom synthesis services for 驱蚊灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.