CTK1C3276
TL;DR: CTK1C3276 (CAS 30319-66-5) is a chemical compound with molecular formula C30H35ClN2O9S and molecular weight 634.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(but-2-enedioic acid);4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol
Also Known As: 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinebutanol dimaleate, 8-Chloro-10-(4-(4-hydroxybutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate, 1-Piperazinebutanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
| Molecular Formula | C30H35ClN2O9S |
|---|---|
| Molecular Weight | 634.18 g/mol |
| LogP | 3.9021 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 634.1752 |
| Heavy Atoms | 43 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 30319-66-5 |
|---|---|
| SMILES | C1CN(CCN1CCCCO)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | VHHYIKYUUHPCQI-UHFFFAOYSA-N |
Product Overview
CTK1C3276 (CAS 30319-66-5), with molecular formula C30H35ClN2O9S and molecular weight 634.18 g/mol. IUPAC: bis(but-2-enedioic acid);4-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-1-ol.
Chemical Property Profile of CTK1C3276
Property Insights of CTK1C3276
The XLogP value of 3.9021 indicates that CTK1C3276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting CTK1C3276 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1C3276 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1C3276?
The CAS number of CTK1C3276 is 30319-66-5.
What is the molecular formula of CTK1C3276?
The molecular formula of CTK1C3276 is C30H35ClN2O9S.
What is the molecular weight of CTK1C3276?
The molecular weight of CTK1C3276 is 634.18 g/mol.
Where can I buy CTK1C3276?
You can request a quote for CTK1C3276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1C3276?
Yes, KEHONG BIO provides custom synthesis services for CTK1C3276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.