KST-1B4249
TL;DR: KST-1B4249 (CAS 43071-19-8) is a chemical compound with molecular formula C25H32Cl4N2O2 and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[8-chloro-5-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-3,4-dihydro-2H-1-benzoxepin-5-yl]-4-methylpiperazine;dihydrochloride
Also Known As: KST-1B4249, 1-(8,8'-dichloro-2,3,3',4,4',5-hexahydro-4,5'-bi-1-benzoxepin-5'(2'h)-yl)-4-methylpiperazine dihydrochloride, Piperazine, 1-(8,8'-dichloro-2,2',3,3',4,4',5,5'-octahydro(4,5'-bi-1-benzoxepin)-5'-yl)-4-methyl-, hydrochloride, hydrate (1:2:1), 1-(8,8'-Dichloro-2,3,3',4,4',5-hexahydro[4,5'-bi-1-benzoxepin]-5'(2'H)-yl)-4-methylpiperazine--hydrogen chloride (1/2), 1-[8-chloro-5-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-3,4-dihydro-2H-1-benzoxepin-5-yl]-4-methylpiperazine dihydrochloride
| Molecular Formula | C25H32Cl4N2O2 |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | 6.0937 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 532.12177 |
| Heavy Atoms | 33 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 43071-19-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2(CCCOC3=C2C=CC(=C3)Cl)C4CCOC5=C(C4)C=CC(=C5)Cl.Cl.Cl |
| InChIKey | YXYLYKOJXKXHOK-UHFFFAOYSA-N |
Product Overview
KST-1B4249 (CAS 43071-19-8), with molecular formula C25H32Cl4N2O2 and molecular weight 532.12 g/mol. IUPAC: 1-[8-chloro-5-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-3,4-dihydro-2H-1-benzoxepin-5-yl]-4-methylpiperazine;dihydrochloride.
Chemical Property Profile of KST-1B4249
Property Insights of KST-1B4249
The XLogP value of 6.0937 indicates that KST-1B4249 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, KST-1B4249 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B4249 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 KST-1B4249?
The CAS number of KST-1B4249 is 43071-19-8.
What is the molecular formula of KST-1B4249?
The molecular formula of KST-1B4249 is C25H32Cl4N2O2.
What is the molecular weight of KST-1B4249?
The molecular weight of KST-1B4249 is 532.12 g/mol.
Where can I buy KST-1B4249?
You can request a quote for KST-1B4249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B4249?
Yes, KEHONG BIO provides custom synthesis services for KST-1B4249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.