RefChem:1057309
TL;DR: RefChem:1057309 (CAS 63885-97-2) is a chemical compound with molecular formula C44H52F2N6O6S4 and molecular weight 926.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;bis(S-[2-[di(propan-2-yl)amino]ethyl] 8-fluoropyrido[3,2-b][1,4]benzothiazine-10-carbothioate)
Also Known As: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-fluoro-, S-(2-(diisopropylamino)ethyl) ester, maleate, 2-(Diisopropylamino)ethyl 8-fluoro-1-azaphenothiazine-10-thiolcarboxylate maleate, (Z)-but-2-enedioic acid; S-[2-[di(propan-2-yl)amino]ethyl] 8-fluoropyrido[3,2-b][1,4]benzothiazine-10-carbothioate, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carbothioic acid, 8-fluoro-, S-[2-[bis(1-methylethyl)amino]ethyl] ester, (Z)-2-butenedioate (2:1), RefChem:1057309
| Molecular Formula | C44H52F2N6O6S4 |
|---|---|
| Molecular Weight | 926.28 g/mol |
| LogP | 11.3026 |
| Topological Polar Surface Area | 147.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 926.2799 |
| Heavy Atoms | 62 |
| Complexity | 2061.1064 |
Chemical Identifiers
| CAS Number | 63885-97-2 |
|---|---|
| SMILES | CC(C)N(CCSC(=O)N1C2=C(C=CC(=C2)F)SC3=C1N=CC=C3)C(C)C.CC(C)N(CCSC(=O)N1C2=C(C=CC(=C2)F)SC3=C1N=CC=C3)C(C)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1057309 (CAS 63885-97-2), with molecular formula C44H52F2N6O6S4 and molecular weight 926.28 g/mol. IUPAC: (Z)-but-2-enedioic acid;bis(S-[2-[di(propan-2-yl)amino]ethyl] 8-fluoropyrido[3,2-b][1,4]benzothiazine-10-carbothioate).
Chemical Property Profile of RefChem:1057309
Property Insights of RefChem:1057309
The XLogP value of 11.3026 indicates that RefChem:1057309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.48 Ų indicates high polarity, suggesting RefChem:1057309 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1057309 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057309?
The CAS number of RefChem:1057309 is 63885-97-2.
What is the molecular formula of RefChem:1057309?
The molecular formula of RefChem:1057309 is C44H52F2N6O6S4.
What is the molecular weight of RefChem:1057309?
The molecular weight of RefChem:1057309 is 926.28 g/mol.
Where can I buy RefChem:1057309?
You can request a quote for RefChem:1057309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057309?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.