RefChem:236013
TL;DR: RefChem:236013 (CAS 19825-16-2) is a chemical compound with molecular formula C20H25Cl2N3OS2 and molecular weight 457.08 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] 3-chloropyrido[2,3-b][1,4]benzothiazine-5-carbothioate;hydrochloride
Also Known As: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 3-chloro-, S-(2-(diisopropylamino)ethyl) ester, hydrochloride, s-[2-(dipropan-2-ylamino)ethyl] 3-chloro-5h-pyrido[2,3-b][1,4]benzothiazine-5-carbothioate hydrochloride(1:1), S-[2-[di(propan-2-yl)amino]ethyl]3-chloropyrido[2,3-b][1,4]benzothiazine-5-carbothioate hydrochloride, S-[2-[di(propan-2-yl)amino]ethyl] 3-chloropyrido[2,3-b][1,4]benzothiazine-5-carbothioate hydrochloride, S-[2-[di(propan-2-yl)amino]ethyl] 3-chloropyrido[2,3-b][1,4]benzothiazine-5-carbothioate;hydrochloride
| Molecular Formula | C20H25Cl2N3OS2 |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 6.73 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0816 |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 19825-16-2 |
|---|---|
| SMILES | CC(C)N(CCSC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=N3)Cl)C(C)C.Cl |
| InChIKey | FVJXQULTXSAVRF-UHFFFAOYSA-N |
Product Overview
RefChem:236013 (CAS 19825-16-2), with molecular formula C20H25Cl2N3OS2 and molecular weight 457.08 g/mol. IUPAC: S-[2-[di(propan-2-yl)amino]ethyl] 3-chloropyrido[2,3-b][1,4]benzothiazine-5-carbothioate;hydrochloride.
Chemical Property Profile of RefChem:236013
Property Insights of RefChem:236013
The XLogP value of 6.73 indicates that RefChem:236013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236013. Following Lipinski's Rule of Five, RefChem:236013 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:236013?
The CAS number of RefChem:236013 is 19825-16-2.
What is the molecular formula of RefChem:236013?
The molecular formula of RefChem:236013 is C20H25Cl2N3OS2.
What is the molecular weight of RefChem:236013?
The molecular weight of RefChem:236013 is 457.08 g/mol.
Where can I buy RefChem:236013?
You can request a quote for RefChem:236013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.