2-Isocyanosuccinic acid dimethyl ester
TL;DR: 2-Isocyanosuccinic acid dimethyl ester (CAS 730964-72-4) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-isocyanobutanedioate
Also Known As: 2-Isocyanosuccinic acid dimethyl ester, Dimethyl 2-isocyanobutanedioate, 1,4-DIMETHYL 2-ISOCYANOBUTANEDIOATE, 2-ISOCYANOSUCCINICACIDDIMETHYLESTER, RefChem:262322
| Molecular Formula | C7H9NO4 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.01039 |
| Topological Polar Surface Area | 56.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.05316 |
| Heavy Atoms | 12 |
| Complexity | 217.9365 |
Chemical Identifiers
| CAS Number | 730964-72-4 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)[N+]#[C-] |
Product Overview
2-Isocyanosuccinic acid dimethyl ester (CAS 730964-72-4), with molecular formula C7H9NO4 and molecular weight 171.05 g/mol. IUPAC: dimethyl 2-isocyanobutanedioate.
Chemical Property Profile of 2-Isocyanosuccinic acid dimethyl ester
Property Insights of 2-Isocyanosuccinic acid dimethyl ester
The XLogP value of 0.01039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanosuccinic acid dimethyl ester. With a topological polar surface area (TPSA) of 56.96 Ų, 2-Isocyanosuccinic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanosuccinic acid dimethyl ester has 0 hydrogen bond donor(s) and 4 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 2-Isocyanosuccinic acid dimethyl ester?
The CAS number of 2-Isocyanosuccinic acid dimethyl ester is 730964-72-4.
What is the molecular formula of 2-Isocyanosuccinic acid dimethyl ester?
The molecular formula of 2-Isocyanosuccinic acid dimethyl ester is C7H9NO4.
What is the molecular weight of 2-Isocyanosuccinic acid dimethyl ester?
The molecular weight of 2-Isocyanosuccinic acid dimethyl ester is 171.05 g/mol.
Where can I buy 2-Isocyanosuccinic acid dimethyl ester?
You can request a quote for 2-Isocyanosuccinic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanosuccinic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanosuccinic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.