Di-tert-butyl 2-isocyanosuccinate
TL;DR: Di-tert-butyl 2-isocyanosuccinate (CAS 1027757-05-6) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2-isocyanobutanedioate
Also Known As: Di-tert-butyl 2-isocyanosuccinate, Ditert-butyl 2-isocyanobutanedioate, Di-tert-butyl 2-isocyanobutanedioate, DL-Aspartic acid di-tert-butyl ester isocyanide, Di-tert-butyl 2-isocyanosuccinate, >=97.0% (GC)
| Molecular Formula | C13H21NO4 |
|---|---|
| Molecular Weight | 255.15 g/mol |
| LogP | 2.34779 |
| Topological Polar Surface Area | 56.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.14706 |
| Heavy Atoms | 18 |
| Complexity | 354.6582 |
Chemical Identifiers
| CAS Number | 1027757-05-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C(=O)OC(C)(C)C)[N+]#[C-] |
Product Overview
Di-tert-butyl 2-isocyanosuccinate (CAS 1027757-05-6), with molecular formula C13H21NO4 and molecular weight 255.15 g/mol. IUPAC: ditert-butyl 2-isocyanobutanedioate.
Chemical Property Profile of Di-tert-butyl 2-isocyanosuccinate
Property Insights of Di-tert-butyl 2-isocyanosuccinate
The XLogP value of 2.34779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyl 2-isocyanosuccinate. With a topological polar surface area (TPSA) of 56.96 Ų, Di-tert-butyl 2-isocyanosuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-tert-butyl 2-isocyanosuccinate 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 Di-tert-butyl 2-isocyanosuccinate?
The CAS number of Di-tert-butyl 2-isocyanosuccinate is 1027757-05-6.
What is the molecular formula of Di-tert-butyl 2-isocyanosuccinate?
The molecular formula of Di-tert-butyl 2-isocyanosuccinate is C13H21NO4.
What is the molecular weight of Di-tert-butyl 2-isocyanosuccinate?
The molecular weight of Di-tert-butyl 2-isocyanosuccinate is 255.15 g/mol.
Where can I buy Di-tert-butyl 2-isocyanosuccinate?
You can request a quote for Di-tert-butyl 2-isocyanosuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl 2-isocyanosuccinate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl 2-isocyanosuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.