6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
TL;DR: 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester (CAS 65907-49-5) is a chemical compound with molecular formula C20H32N2O4S and molecular weight 396.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-propan-2-ylphenyl) N-[heptoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate
Also Known As: 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester, 2,4-Dimethyl-5-oxo-6-oxa-3-thia-2,4-diazatridecanoic acid 3-(1-methylethyl)phenyl ester, Heptyl 3-(propan-2-yl)phenyl sulfanediylbis(methylcarbamate), (3-propan-2-ylphenyl) N-[heptoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate, BRN 2183233
| Molecular Formula | C20H32N2O4S |
|---|---|
| Molecular Weight | 396.21 g/mol |
| LogP | 5.8426 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.20828 |
| Heavy Atoms | 27 |
| Complexity | 595.09937 |
Chemical Identifiers
| CAS Number | 65907-49-5 |
|---|---|
| SMILES | CCCCCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC(=C1)C(C)C |
Product Overview
6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester (CAS 65907-49-5), with molecular formula C20H32N2O4S and molecular weight 396.21 g/mol. IUPAC: (3-propan-2-ylphenyl) N-[heptoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate.
Chemical Property Profile of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
Property Insights of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester
The XLogP value of 5.8426 indicates that 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester has 0 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 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
The CAS number of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is 65907-49-5.
What is the molecular formula of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
The molecular formula of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is C20H32N2O4S.
What is the molecular weight of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
The molecular weight of 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester is 396.21 g/mol.
Where can I buy 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
You can request a quote for 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxa-3-thia-2,4-diazatridecanoic acid, 2,4-dimethyl-5-oxo-, 3-(1-methylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.