CTK1H3738
TL;DR: CTK1H3738 (CAS 5118-52-5) is a chemical compound with molecular formula C23H25ClN2O4S and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Also Known As: Piperazine, 1-(3-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), 1-(3-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate
| Molecular Formula | C23H25ClN2O4S |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 4.05 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.12234 |
| Heavy Atoms | 31 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 5118-52-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)Cl)SC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
| InChIKey | HORGSUVZMVDUGW-UHFFFAOYSA-N |
Product Overview
CTK1H3738 (CAS 5118-52-5), with molecular formula C23H25ClN2O4S and molecular weight 460.12 g/mol. IUPAC: but-2-enedioic acid;1-(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine.
Chemical Property Profile of CTK1H3738
Property Insights of CTK1H3738
The XLogP value of 4.05 indicates that CTK1H3738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1H3738. Following Lipinski's Rule of Five, CTK1H3738 has 2 hydrogen bond donor(s) and 7 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 CTK1H3738?
The CAS number of CTK1H3738 is 5118-52-5.
What is the molecular formula of CTK1H3738?
The molecular formula of CTK1H3738 is C23H25ClN2O4S.
What is the molecular weight of CTK1H3738?
The molecular weight of CTK1H3738 is 460.12 g/mol.
Where can I buy CTK1H3738?
You can request a quote for CTK1H3738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1H3738?
Yes, KEHONG BIO provides custom synthesis services for CTK1H3738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.