RefChem:236041
TL;DR: RefChem:236041 (CAS 63885-73-4) is a chemical compound with molecular formula C22H30ClN3O2S2 and molecular weight 467.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride
Also Known As: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carboxylic acid, 2-((2-diisopropylaminoethyl)thio)ethyl ester, hydrochloride, 10H-Pyrido[3,2-b][1,4]benzothiazine-10-carboxylic acid, 2-[[2-[bis(1-methylethyl)amino]ethyl]thio]ethyl ester, monohydrochloride, 2-({2-[Di(propan-2-yl)amino]ethyl}sulfanyl)ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate--hydrogen chloride (1/1), 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride, RefChem:236041
| Molecular Formula | C22H30ClN3O2S2 |
|---|---|
| Molecular Weight | 467.15 g/mol |
| LogP | 6.0947 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.1468 |
| Heavy Atoms | 30 |
| Complexity | 782.03485 |
Chemical Identifiers
| CAS Number | 63885-73-4 |
|---|---|
| SMILES | CC(C)N(CCSCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C.Cl |
Product Overview
RefChem:236041 (CAS 63885-73-4), with molecular formula C22H30ClN3O2S2 and molecular weight 467.15 g/mol. IUPAC: 2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:236041
Property Insights of RefChem:236041
The XLogP value of 6.0947 indicates that RefChem:236041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, RefChem:236041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236041 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:236041?
The CAS number of RefChem:236041 is 63885-73-4.
What is the molecular formula of RefChem:236041?
The molecular formula of RefChem:236041 is C22H30ClN3O2S2.
What is the molecular weight of RefChem:236041?
The molecular weight of RefChem:236041 is 467.15 g/mol.
Where can I buy RefChem:236041?
You can request a quote for RefChem:236041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236041?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.