RefChem:1057310
TL;DR: RefChem:1057310 (CAS 35805-95-9) is a chemical compound with molecular formula C24H29N3O5S2 and molecular weight 503.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;S-[2-[di(propan-2-yl)amino]ethyl] pyrido[2,3-b][1,4]benzothiazine-5-carbothioate
Also Known As: 2-(Diisopropylamino)ethyl 1-azaphenothiazine-10-thiolcarboxylate maleate, 10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(diisopropylamino)ethyl)thiocarbonyl-, maleate, 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(diisopropylamino)ethyl) ester,maleate, 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(2-(bis(1-methylethyl)amino)ethyl) ester, (Z)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; S-[2-[di(propan-2-yl)amino]ethyl] pyrido[2,3-b][1,4]benzothiazine-5-carbothioate
| Molecular Formula | C24H29N3O5S2 |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 5.3681 |
| Topological Polar Surface Area | 111.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.15488 |
| Heavy Atoms | 34 |
| Complexity | 973.27344 |
Chemical Identifiers
| CAS Number | 35805-95-9 |
|---|---|
| SMILES | CC(C)N(CCSC(=O)N1C2=C(N=CC=C2)SC3=CC=CC=C31)C(C)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1057310 (CAS 35805-95-9), with molecular formula C24H29N3O5S2 and molecular weight 503.15 g/mol. IUPAC: (Z)-but-2-enedioic acid;S-[2-[di(propan-2-yl)amino]ethyl] pyrido[2,3-b][1,4]benzothiazine-5-carbothioate.
Chemical Property Profile of RefChem:1057310
Property Insights of RefChem:1057310
The XLogP value of 5.3681 indicates that RefChem:1057310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057310. Following Lipinski's Rule of Five, RefChem:1057310 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057310?
The CAS number of RefChem:1057310 is 35805-95-9.
What is the molecular formula of RefChem:1057310?
The molecular formula of RefChem:1057310 is C24H29N3O5S2.
What is the molecular weight of RefChem:1057310?
The molecular weight of RefChem:1057310 is 503.15 g/mol.
Where can I buy RefChem:1057310?
You can request a quote for RefChem:1057310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057310?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.