Lab 181508
TL;DR: Lab 181508 (CAS 13017-69-1) is a chemical compound with molecular formula C8H13NO5 and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate
Also Known As: methyl isopropylideneaminooxyacetoxyacetate, J1.046.758F, methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate, Methoxycarbonylmethyl 2-(propan-2-ylideneamino)oxyacetate, (((Isopropylidene)amino)oxy)acetic acid 2-(methoxy)-2-oxoethyl ester
| Molecular Formula | C8H13NO5 |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 203.07938 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 13017-69-1 |
|---|---|
| SMILES | CC(=NOCC(=O)OCC(=O)OC)C |
| InChIKey | XRGASIIWBGQTPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lab 181508 (CAS 13017-69-1), with molecular formula C8H13NO5 and molecular weight 203.08 g/mol. IUPAC: methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate.
Chemical Property Profile of Lab 181508
Property Insights of Lab 181508
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lab 181508. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Lab 181508. Following Lipinski's Rule of Five, Lab 181508 has 0 hydrogen bond donor(s) and 6 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 Lab 181508?
The CAS number of Lab 181508 is 13017-69-1.
What is the molecular formula of Lab 181508?
The molecular formula of Lab 181508 is C8H13NO5.
What is the molecular weight of Lab 181508?
The molecular weight of Lab 181508 is 203.08 g/mol.
Where can I buy Lab 181508?
You can request a quote for Lab 181508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lab 181508?
Yes, KEHONG BIO provides custom synthesis services for Lab 181508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.