Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate
TL;DR: Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate (CAS 1067-66-9) is a chemical compound with molecular formula C12H28N2O5Si and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(3-trimethoxysilylpropylamino)ethylamino]propanoate
Also Known As: A-1125 (silane), 2-Oxa-7,10-diaza-3-silatridecan-13-oic acid, 3,3-dimethoxy-, methyl ester, Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate, methyl 3-[2-(3-trimethoxysilylpropylamino)ethylamino]propanoate, 12-Oxa-4,7-diaza-11-silatridecanoic acid, 11,11-dimethoxy-, methyl ester
| Molecular Formula | C12H28N2O5Si |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 308.17676 |
| Heavy Atoms | 20 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 1067-66-9 |
|---|---|
| SMILES | COC(=O)CCNCCNCCC[Si](OC)(OC)OC |
| InChIKey | IKUCSZCOPRPNOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate (CAS 1067-66-9), with molecular formula C12H28N2O5Si and molecular weight 308.18 g/mol. IUPAC: methyl 3-[2-(3-trimethoxysilylpropylamino)ethylamino]propanoate.
Chemical Property Profile of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate
Property Insights of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate. Following Lipinski's Rule of Five, Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate has 2 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 Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate?
The CAS number of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate is 1067-66-9.
What is the molecular formula of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate?
The molecular formula of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate is C12H28N2O5Si.
What is the molecular weight of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate?
The molecular weight of Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate is 308.18 g/mol.
Where can I buy Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate?
You can request a quote for Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3-dimethoxy-2-oxa-7,10-diaza-3-silatridecan-13-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.