RefChem:1083355
TL;DR: RefChem:1083355 (CAS 69231-70-5) is a chemical compound with molecular formula C23H23ClN2O5S and molecular weight 474.10 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)benzo[b][1]benzothiepin-9-ol;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 8-Chloro-3-hydroxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate, 10,11-Dihydro-8-chloro-10-(1-piperazinyl)dibenzo(b,f)thiepin-3-ol maleate, Dibenzo(b,f)thiepin-3-ol, 10,11-dihydro-8-chloro-10-(1-piperazinyl)-, (Z)-2-butenedioate (1:1), DIBENZO(b,f)THIEPIN-3-OL, 10,11-DIHYDRO-8-CHLORO-10-(1-PIPERAZINYL)-, (Z)-2-BUTE, 3-chloro-5-(4-methylpiperazin-1-ium-1-yl)benzo[b][1]benzothiepin-9-ol; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H23ClN2O5S |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 1.2157 |
| Topological Polar Surface Area | 105.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.10162 |
| Heavy Atoms | 32 |
| Complexity | 1062.0516 |
Chemical Identifiers
| CAS Number | 69231-70-5 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2=CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083355 (CAS 69231-70-5), with molecular formula C23H23ClN2O5S and molecular weight 474.10 g/mol. IUPAC: 3-chloro-5-(4-methylpiperazin-1-ium-1-yl)benzo[b][1]benzothiepin-9-ol;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1083355
Property Insights of RefChem:1083355
The XLogP value of 1.2157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083355. The TPSA of 105.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083355. Following Lipinski's Rule of Five, RefChem:1083355 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:1083355?
The CAS number of RefChem:1083355 is 69231-70-5.
What is the molecular formula of RefChem:1083355?
The molecular formula of RefChem:1083355 is C23H23ClN2O5S.
What is the molecular weight of RefChem:1083355?
The molecular weight of RefChem:1083355 is 474.10 g/mol.
Where can I buy RefChem:1083355?
You can request a quote for RefChem:1083355 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083355?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083355 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.