1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate
TL;DR: 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate (CAS 87767-36-0) is a chemical compound with molecular formula C20H28N6O8S4 and molecular weight 608.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[methyl-[methyl-[2-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyphenoxy]carbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
Also Known As: 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate
| Molecular Formula | C20H28N6O8S4 |
|---|---|
| Molecular Weight | 608.09 g/mol |
| LogP | 5.2038 |
| Topological Polar Surface Area | 142.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 608.08514 |
| Heavy Atoms | 38 |
| Complexity | 979.09247 |
Chemical Identifiers
| CAS Number | 87767-36-0 |
|---|---|
| SMILES | CC(=NOC(=O)N(C)SN(C)C(=O)OC1=CC=CC=C1OC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC |
Product Overview
1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate (CAS 87767-36-0), with molecular formula C20H28N6O8S4 and molecular weight 608.09 g/mol. IUPAC: methyl N-[methyl-[methyl-[2-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyphenoxy]carbonylamino]sulfanylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate
Property Insights of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate
The XLogP value of 5.2038 indicates that 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.88 Ų indicates high polarity, suggesting 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate?
The CAS number of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate is 87767-36-0.
What is the molecular formula of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate?
The molecular formula of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate is C20H28N6O8S4.
What is the molecular weight of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate?
The molecular weight of 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate is 608.09 g/mol.
Where can I buy 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate?
You can request a quote for 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Phenylene 5-oxo-2,4,8-trimethyl-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.