RefChem:1062529
TL;DR: RefChem:1062529 (CAS 34770-59-7) is a chemical compound with molecular formula C22H27Cl2N3OS and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[4-(3-chloro-7-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)butan-2-ylidene]hydroxylamine chloride
Also Known As: 8-Chloro-10-(4-(3-oximinobutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin hydrochloride, 2-Butanone, 4-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-, oxime, monohydrochloride, 4-(4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-2-butanone oxime HCl, 2-BUTANONE, 4-(4-(8-CHLORO-10,11-DIHYDRODIBENZO(b,f)THIEPIN-10-YL)-1-PIPERAZINYL, RefChem:1062529
| Molecular Formula | C22H27Cl2N3OS |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 0.8848 |
| Topological Polar Surface Area | 49.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.12518 |
| Heavy Atoms | 29 |
| Complexity | 884.35626 |
Chemical Identifiers
| CAS Number | 34770-59-7 |
|---|---|
| SMILES | C/C(=N\O)/CCC1CC2=C(C=CC=C2SC3=C1C=C(C=C3)Cl)[NH+]4CCNCC4.[Cl-] |
Product Overview
RefChem:1062529 (CAS 34770-59-7), with molecular formula C22H27Cl2N3OS and molecular weight 451.13 g/mol. IUPAC: (NE)-N-[4-(3-chloro-7-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)butan-2-ylidene]hydroxylamine chloride.
Chemical Property Profile of RefChem:1062529
Property Insights of RefChem:1062529
The XLogP value of 0.8848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062529. With a topological polar surface area (TPSA) of 49.06 Ų, RefChem:1062529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062529 has 3 hydrogen bond donor(s) and 4 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 RefChem:1062529?
The CAS number of RefChem:1062529 is 34770-59-7.
What is the molecular formula of RefChem:1062529?
The molecular formula of RefChem:1062529 is C22H27Cl2N3OS.
What is the molecular weight of RefChem:1062529?
The molecular weight of RefChem:1062529 is 451.13 g/mol.
Where can I buy RefChem:1062529?
You can request a quote for RefChem:1062529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062529?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.