methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate
TL;DR: methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate (CAS 304876-72-0) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxylate
Also Known As: methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate, ChemDiv3_002023, IDI1_020989, methyl 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxylate, BRD-K05306708-001-01-4
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 0.67478 |
| Topological Polar Surface Area | 81.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 467.99255 |
Chemical Identifiers
| CAS Number | 304876-72-0 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C2N1CCC2)C#N)N |
Product Overview
methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate (CAS 304876-72-0), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: methyl 2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxylate.
Chemical Property Profile of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate
Property Insights of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate
The XLogP value of 0.67478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate. The TPSA of 81.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-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 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate?
The CAS number of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate is 304876-72-0.
What is the molecular formula of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate?
The molecular formula of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate is C10H11N3O2.
What is the molecular weight of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate?
The molecular weight of methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate is 205.09 g/mol.
Where can I buy methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate?
You can request a quote for methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-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 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-7-cyano-2,3-dihydro-1H-pyrrolizine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.