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Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
TL;DR: Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate (CAS 78657-92-8) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
Also Known As: methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate, Methyl 1-(2-{[(benzyloxy)carbonyl]amino}butanoyl)prolinate
| Molecular Formula | C18H24N2O5 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.16852 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 78657-92-8 |
|---|---|
| SMILES | CCC(C(=O)N1CCCC1C(=O)OC)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | NMRWAZHKEPQYKR-UHFFFAOYSA-N |
Product Overview
Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate (CAS 78657-92-8), with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol. IUPAC: methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
Property Insights of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate has 1 hydrogen bond donor(s) and 5 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-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate?
The CAS number of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate is 78657-92-8.
What is the molecular formula of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate?
The molecular formula of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate is C18H24N2O5.
What is the molecular weight of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate?
The molecular weight of Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate is 348.17 g/mol.
Where can I buy Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate?
You can request a quote for Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-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-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.