N-Carbethoxyazabiotin
TL;DR: N-Carbethoxyazabiotin (CAS 57739-94-3) is a chemical compound with molecular formula C13H21N3O5 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-ethoxycarbonyl-2-oxo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-d]imidazol-4-yl)pentanoic acid
Also Known As: N-Carbethoxyazabiotin, 4-(4-Carboxybutyl)-5-carbethoxy-cis-hexahydropyrrolo(3,4-d)imidazol-2-one, Pyrrolo(3,4-d)imidazole-4-pentanoic acid, 5-(ethoxycarbonyl)octahydro-2-oxo-, 5-(5-ethoxycarbonyl-2-oxo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-d]imidazol-4-yl)pentanoic acid, 5-[5-(Ethoxycarbonyl)-2-hydroxy-3,3a,4,5,6,6a-hexahydropyrrolo[3,4-d]imidazol-4-yl]pentanoic acid
| Molecular Formula | C13H21N3O5 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 0.5221 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.14813 |
| Heavy Atoms | 21 |
| Complexity | 428.0298 |
Chemical Identifiers
| CAS Number | 57739-94-3 |
|---|---|
| SMILES | CCOC(=O)N1CC2C(C1CCCCC(=O)O)NC(=O)N2 |
Product Overview
N-Carbethoxyazabiotin (CAS 57739-94-3), with molecular formula C13H21N3O5 and molecular weight 299.15 g/mol. IUPAC: 5-(5-ethoxycarbonyl-2-oxo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-d]imidazol-4-yl)pentanoic acid.
Chemical Property Profile of N-Carbethoxyazabiotin
Property Insights of N-Carbethoxyazabiotin
The XLogP value of 0.5221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carbethoxyazabiotin. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbethoxyazabiotin. Following Lipinski's Rule of Five, N-Carbethoxyazabiotin has 3 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 N-Carbethoxyazabiotin?
The CAS number of N-Carbethoxyazabiotin is 57739-94-3.
What is the molecular formula of N-Carbethoxyazabiotin?
The molecular formula of N-Carbethoxyazabiotin is C13H21N3O5.
What is the molecular weight of N-Carbethoxyazabiotin?
The molecular weight of N-Carbethoxyazabiotin is 299.15 g/mol.
Where can I buy N-Carbethoxyazabiotin?
You can request a quote for N-Carbethoxyazabiotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carbethoxyazabiotin?
Yes, KEHONG BIO provides custom synthesis services for N-Carbethoxyazabiotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.