Compound 10661
TL;DR: Compound 10661 (CAS 70931-15-6) is a chemical compound with molecular formula C26H31FN2O4S and molecular weight 486.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Compound 10661, 3-Fluoro-8-isopropyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(d,f)thiepin maleate, Piperazine, 1-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1), 7-Fluoro-2-isopropyl-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, (E)-but-2-enedioic acid; 1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
| Molecular Formula | C26H31FN2O4S |
|---|---|
| Molecular Weight | 486.20 g/mol |
| LogP | 4.6567 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.19885 |
| Heavy Atoms | 34 |
| Complexity | 1048.7614 |
Chemical Identifiers
| CAS Number | 70931-15-6 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
Compound 10661 (CAS 70931-15-6), with molecular formula C26H31FN2O4S and molecular weight 486.20 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of Compound 10661
Property Insights of Compound 10661
The XLogP value of 4.6567 indicates that Compound 10661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Compound 10661. Following Lipinski's Rule of Five, Compound 10661 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound 10661?
The CAS number of Compound 10661 is 70931-15-6.
What is the molecular formula of Compound 10661?
The molecular formula of Compound 10661 is C26H31FN2O4S.
What is the molecular weight of Compound 10661?
The molecular weight of Compound 10661 is 486.20 g/mol.
Where can I buy Compound 10661?
You can request a quote for Compound 10661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 10661?
Yes, KEHONG BIO provides custom synthesis services for Compound 10661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.