RefChem:1083354
TL;DR: RefChem:1083354 (CAS 70932-12-6) is a chemical compound with molecular formula C23H23FN2O5S-2 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioate;9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol
Also Known As: 7-Fluoro-2-hydroxy-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-7-fluoro-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1) (salt), DIBENZO(b,f)THIEPIN-2-OL, 10,11-DIHYDRO-7-FLUORO-11-(4-METHYL-1-PIPERAZINYL)-, (, (Z)-but-2-enedioate; 9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol, RefChem:1083354
| Molecular Formula | C23H23FN2O5S-2 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 0.5695 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.13116 |
| Heavy Atoms | 32 |
| Complexity | 1005.44147 |
Chemical Identifiers
| CAS Number | 70932-12-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)O.C(=C\C(=O)[O-])\C(=O)[O-] |
Product Overview
RefChem:1083354 (CAS 70932-12-6), with molecular formula C23H23FN2O5S-2 and molecular weight 458.13 g/mol. IUPAC: (Z)-but-2-enedioate;9-fluoro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol.
Chemical Property Profile of RefChem:1083354
Property Insights of RefChem:1083354
The XLogP value of 0.5695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083354. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083354. Following Lipinski's Rule of Five, RefChem:1083354 has 1 hydrogen bond donor(s) and 8 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:1083354?
The CAS number of RefChem:1083354 is 70932-12-6.
What is the molecular formula of RefChem:1083354?
The molecular formula of RefChem:1083354 is C23H23FN2O5S-2.
What is the molecular weight of RefChem:1083354?
The molecular weight of RefChem:1083354 is 458.13 g/mol.
Where can I buy RefChem:1083354?
You can request a quote for RefChem:1083354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083354?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.