RefChem:1083357
TL;DR: RefChem:1083357 (CAS 68351-10-0) is a chemical compound with molecular formula C23H25ClN2O6S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(4-methylpiperazin-1-ium-1-yl)-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-1-ol;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 8-Chloro-6-hydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate, Dibenzo(b,f)thiepin-4-ol, 10,11-dihydro-2-chloro-11-(4-methyl-1-piperazinyl)-, 5-oxide, (Z)-2-butenedioate (1:1), 10,11-Dihydro-2-chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-4-ol 5-oxide maleate, DIBENZO(b,f)THIEPIN-4-OL, 10,11-DIHYDRO-2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-, 5, 3-chloro-5-(4-methylpiperazin-1-ium-1-yl)-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-1-ol; (E)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H25ClN2O6S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 0.0169 |
| Topological Polar Surface Area | 122.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.11218 |
| Heavy Atoms | 33 |
| Complexity | 1082.3544 |
Chemical Identifiers
| CAS Number | 68351-10-0 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4O)Cl.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083357 (CAS 68351-10-0), with molecular formula C23H25ClN2O6S and molecular weight 492.11 g/mol. IUPAC: 3-chloro-5-(4-methylpiperazin-1-ium-1-yl)-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-1-ol;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1083357
Property Insights of RefChem:1083357
The XLogP value of 0.0169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083357. The TPSA of 122.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083357. Following Lipinski's Rule of Five, RefChem:1083357 has 3 hydrogen bond donor(s) and 6 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:1083357?
The CAS number of RefChem:1083357 is 68351-10-0.
What is the molecular formula of RefChem:1083357?
The molecular formula of RefChem:1083357 is C23H25ClN2O6S.
What is the molecular weight of RefChem:1083357?
The molecular weight of RefChem:1083357 is 492.11 g/mol.
Where can I buy RefChem:1083357?
You can request a quote for RefChem:1083357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083357?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.