Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate
TL;DR: Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate (CAS 1026680-07-8) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-3-carboxylate
Also Known As: IYKUSRPMMWSDJM-UHFFFAOYSA-, LB 100, NCI60_015629, methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate, Methyl 1-((tert-butoxycarbonyl)amino)-2,5-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 1026680-07-8 |
|---|---|
| SMILES | CC1=CC(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC |
| InChIKey | IYKUSRPMMWSDJM-UHFFFAOYSA-N |
Product Overview
Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate (CAS 1026680-07-8), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: methyl 2,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-3-carboxylate.
Chemical Property Profile of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate
Property Insights of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate has 1 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 Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate?
The CAS number of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate is 1026680-07-8.
What is the molecular formula of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate?
The molecular formula of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate is C13H20N2O4.
What is the molecular weight of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate?
The molecular weight of Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate is 268.14 g/mol.
Where can I buy Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate?
You can request a quote for Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(tert-butoxycarbonylamino)-2,5-dimethyl-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.