RefChem:236015
TL;DR: RefChem:236015 (CAS 35806-01-0) is a chemical compound with molecular formula C21H27N3OS3 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[di(propan-2-yl)amino]ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate
Also Known As: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) ester, 2-(Diisopropylamino)ethyl 8-methylthio-1-azaphenothiazine-10-thiolcarboxylate, s-[2-(dipropan-2-ylamino)ethyl] 9-(methylsulfanyl)-5h-pyrido[2,3-b][1,4]benzothiazine-5-carbothioate, S-[2-[di(propan-2-yl)amino]ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate, S-{2-[Di(propan-2-yl)amino]ethyl} 9-(methylsulfanyl)-5H-pyrido[2,3-b][1,4]benzothiazine-5-carbothioate
| Molecular Formula | C21H27N3OS3 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.13162 |
| Heavy Atoms | 28 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 35806-01-0 |
|---|---|
| SMILES | CC(C)N(CCSC(=O)N1C2=C(C(=CC=C2)SC)SC3=C1C=CC=N3)C(C)C |
| InChIKey | GPODRZQMTRZYBH-UHFFFAOYSA-N |
Product Overview
RefChem:236015 (CAS 35806-01-0), with molecular formula C21H27N3OS3 and molecular weight 433.13 g/mol. IUPAC: S-[2-[di(propan-2-yl)amino]ethyl] 9-methylsulfanylpyrido[2,3-b][1,4]benzothiazine-5-carbothioate.
Chemical Property Profile of RefChem:236015
Property Insights of RefChem:236015
The XLogP value of 5.3 indicates that RefChem:236015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236015. Following Lipinski's Rule of Five, RefChem:236015 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:236015?
The CAS number of RefChem:236015 is 35806-01-0.
What is the molecular formula of RefChem:236015?
The molecular formula of RefChem:236015 is C21H27N3OS3.
What is the molecular weight of RefChem:236015?
The molecular weight of RefChem:236015 is 433.13 g/mol.
Where can I buy RefChem:236015?
You can request a quote for RefChem:236015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236015?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.