Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate
TL;DR: Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate (CAS 99967-76-7) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate
Also Known As: methyl 4-amino-2-(pyrrolidin-1-yl)thiazole-5-carboxylate, methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate, methyl 4-amino-2-(pyrrolidin-1-yl)-1,3-thiazole-5-carboxylate, F1907-0583, methyl 4-amino-2-pyrrolidin-1-yl-thiazole-5-carboxylate
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 99967-76-7 |
|---|---|
| SMILES | COC(=O)C1=C(N=C(S1)N2CCCC2)N |
| InChIKey | WPWAIDNVUIJHLF-UHFFFAOYSA-N |
Product Overview
Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate (CAS 99967-76-7), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate
Property Insights of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate has 1 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 Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate?
The CAS number of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate is 99967-76-7.
What is the molecular formula of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate?
The molecular formula of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate is C9H13N3O2S.
What is the molecular weight of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate?
The molecular weight of Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate is 227.07 g/mol.
Where can I buy Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate?
You can request a quote for Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.