Tertiary-butyloxycarbonyl-alanine imidazolide
TL;DR: Tertiary-butyloxycarbonyl-alanine imidazolide (CAS 86194-94-7) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-imidazol-1-yl-1-oxopropan-2-yl)carbamic acid
Also Known As: TBCAI, Boc-DL-ala-imidazolide, Tertiary-butyloxycarbonyl-alanine imidazolide, (1-imidazol-1-yl-1-oxopropan-2-yl)carbamic acid, [1-(1H-imidazol-1-yl)-1-oxopropan-2-yl]carbamic acid
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 86194-94-7 |
|---|---|
| SMILES | CC(C(=O)N1C=CN=C1)NC(=O)O |
| InChIKey | MOAJIKUCBRTVEM-UHFFFAOYSA-N |
Product Overview
Tertiary-butyloxycarbonyl-alanine imidazolide (CAS 86194-94-7), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: (1-imidazol-1-yl-1-oxopropan-2-yl)carbamic acid.
Chemical Property Profile of Tertiary-butyloxycarbonyl-alanine imidazolide
Property Insights of Tertiary-butyloxycarbonyl-alanine imidazolide
The XLogP value of -0.3 indicates that Tertiary-butyloxycarbonyl-alanine imidazolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tertiary-butyloxycarbonyl-alanine imidazolide. Following Lipinski's Rule of Five, Tertiary-butyloxycarbonyl-alanine imidazolide has 2 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 Tertiary-butyloxycarbonyl-alanine imidazolide?
The CAS number of Tertiary-butyloxycarbonyl-alanine imidazolide is 86194-94-7.
What is the molecular formula of Tertiary-butyloxycarbonyl-alanine imidazolide?
The molecular formula of Tertiary-butyloxycarbonyl-alanine imidazolide is C7H9N3O3.
What is the molecular weight of Tertiary-butyloxycarbonyl-alanine imidazolide?
The molecular weight of Tertiary-butyloxycarbonyl-alanine imidazolide is 183.06 g/mol.
Where can I buy Tertiary-butyloxycarbonyl-alanine imidazolide?
You can request a quote for Tertiary-butyloxycarbonyl-alanine imidazolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tertiary-butyloxycarbonyl-alanine imidazolide?
Yes, KEHONG BIO provides custom synthesis services for Tertiary-butyloxycarbonyl-alanine imidazolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.