C9H17N3O4S2
TL;DR: C9H17N3O4S2 (CAS 64028-99-5) is a chemical compound with molecular formula C9H17N3O4S2 and molecular weight 295.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[[ethoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: Ethyl 2,4,8-trimethyl-5-oxo-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoate, 2,4,8-Trimethyl-5-oxo-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid ethyl ester, 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-, ethyl ester, 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoicacid, 2,4,8-trimethyl-5-oxo-, ethyl ester, Methyl N-{[{[(ethoxycarbonyl)(methyl)amino]sulfanyl}(methyl)carbamoyl]oxy}ethanimidothioate
| Molecular Formula | C9H17N3O4S2 |
|---|---|
| Molecular Weight | 295.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.06604 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 64028-99-5 |
|---|---|
| SMILES | CCOC(=O)N(C)SN(C)C(=O)ON=C(C)SC |
| InChIKey | VEHYYCRDMUUZEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C9H17N3O4S2 (CAS 64028-99-5), with molecular formula C9H17N3O4S2 and molecular weight 295.07 g/mol. IUPAC: methyl N-[[ethoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of C9H17N3O4S2
Property Insights of C9H17N3O4S2
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H17N3O4S2. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H17N3O4S2. Following Lipinski's Rule of Five, C9H17N3O4S2 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C9H17N3O4S2?
The CAS number of C9H17N3O4S2 is 64028-99-5.
What is the molecular formula of C9H17N3O4S2?
The molecular formula of C9H17N3O4S2 is C9H17N3O4S2.
What is the molecular weight of C9H17N3O4S2?
The molecular weight of C9H17N3O4S2 is 295.07 g/mol.
Where can I buy C9H17N3O4S2?
You can request a quote for C9H17N3O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H17N3O4S2?
Yes, KEHONG BIO provides custom synthesis services for C9H17N3O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.