S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate
TL;DR: S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate (CAS 136743-24-3) is a chemical compound with molecular formula C21H24N2O9S2 and molecular weight 512.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[2-hydroxy-2-[hydroxy-(4-methoxyphenyl)methyl]sulfanylacetyl]amino]ethylsulfanyl]ethyl (4-nitrophenyl) carbonate
Also Known As: 4-Mtasnc, S-(4-Methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate, 2-[2-[[2-hydroxy-2-[hydroxy-(4-methoxyphenyl)methyl]sulfanylacetyl]amino]ethylsulfanyl]ethyl (4-nitrophenyl) carbonate, 2-Oxa-5,11-dithia-8-azadodecanoic acid, 12-(4-methoxyphenyl)-9-oxo-, 4-nitrophenyl ester, 5,5-dioxide, (4-methoxyphenyl)methyl(1E)-N-[2-(2-carboxyoxy-5-nitrophenyl)-1-ethylsulfonylethyl]-2-hydroxyethanimidothioate
| Molecular Formula | C21H24N2O9S2 |
|---|---|
| Molecular Weight | 512.09 g/mol |
| LogP | 2.7109 |
| Topological Polar Surface Area | 157.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 512.09235 |
| Heavy Atoms | 34 |
| Complexity | 942.2652 |
Chemical Identifiers
| CAS Number | 136743-24-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(O)SC(C(=O)NCCSCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O |
Product Overview
S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate (CAS 136743-24-3), with molecular formula C21H24N2O9S2 and molecular weight 512.09 g/mol. IUPAC: 2-[2-[[2-hydroxy-2-[hydroxy-(4-methoxyphenyl)methyl]sulfanylacetyl]amino]ethylsulfanyl]ethyl (4-nitrophenyl) carbonate.
Chemical Property Profile of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate
Property Insights of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate
The XLogP value of 2.7109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate. The TPSA of 157.46 Ų indicates high polarity, suggesting S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate?
The CAS number of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate is 136743-24-3.
What is the molecular formula of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate?
The molecular formula of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate is C21H24N2O9S2.
What is the molecular weight of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate?
The molecular weight of S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate is 512.09 g/mol.
Where can I buy S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate?
You can request a quote for S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-methoxybenzyl)thioglycolylaminoethylsulfonylethyl-4-nitrophenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.