tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
TL;DR: tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate (CAS 709031-38-9) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
Also Known As: Saxagliptin Impurity 9, Saxagliptin Impurity 6, Saxagliptin Impurity 12, (S)-tert-Butyl 2-carbamoyl-2,3-dihydro-1H-pyrrole-1-carboxylate, PYR318
| Molecular Formula | C10H16N2O3 |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 0.9948 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.11609 |
| Heavy Atoms | 15 |
| Complexity | 304.27957 |
Chemical Identifiers
| CAS Number | 709031-38-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=CC[C@H]1C(=O)N |
Product Overview
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate (CAS 709031-38-9), with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol. IUPAC: tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate.
Chemical Property Profile of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
Property Insights of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
The XLogP value of 0.9948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate?
The CAS number of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate is 709031-38-9.
What is the molecular formula of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate?
The molecular formula of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate is C10H16N2O3.
What is the molecular weight of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate?
The molecular weight of tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate is 212.12 g/mol.
Where can I buy tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate?
You can request a quote for tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.