Dimethyl 2-isocyanatopentanedioate
TL;DR: Dimethyl 2-isocyanatopentanedioate (CAS 90090-61-2) is a chemical compound with molecular formula C8H11NO5 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-isocyanatopentanedioate
Also Known As: dimethyl 2-isocyanatopentanedioate, Dimethyl N-(oxomethylidene)glutamate
| Molecular Formula | C8H11NO5 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 201.06372 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 90090-61-2 |
|---|---|
| SMILES | COC(=O)CCC(C(=O)OC)N=C=O |
| InChIKey | ZMRPWTVIVPCQBI-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-isocyanatopentanedioate (CAS 90090-61-2), with molecular formula C8H11NO5 and molecular weight 201.06 g/mol. IUPAC: dimethyl 2-isocyanatopentanedioate.
Chemical Property Profile of Dimethyl 2-isocyanatopentanedioate
Property Insights of Dimethyl 2-isocyanatopentanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-isocyanatopentanedioate. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-isocyanatopentanedioate. Following Lipinski's Rule of Five, Dimethyl 2-isocyanatopentanedioate 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 Dimethyl 2-isocyanatopentanedioate?
The CAS number of Dimethyl 2-isocyanatopentanedioate is 90090-61-2.
What is the molecular formula of Dimethyl 2-isocyanatopentanedioate?
The molecular formula of Dimethyl 2-isocyanatopentanedioate is C8H11NO5.
What is the molecular weight of Dimethyl 2-isocyanatopentanedioate?
The molecular weight of Dimethyl 2-isocyanatopentanedioate is 201.06 g/mol.
Where can I buy Dimethyl 2-isocyanatopentanedioate?
You can request a quote for Dimethyl 2-isocyanatopentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-isocyanatopentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-isocyanatopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.