tert-Butyloxycarbonylpyrimidoblamic acid
TL;DR: tert-Butyloxycarbonylpyrimidoblamic acid (CAS 79304-40-8) is a chemical compound with molecular formula C17H27N7O6 and molecular weight 425.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-[(1S)-3-amino-1-[[3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carboxylic acid
Also Known As: Boc-pyrimidoblamic acid, tert-Butyloxycarbonylpyrimidoblamic acid, 6-amino-2-[(1s)-3-amino-1-({3-amino-2-[(tert-butoxycarbonyl)amino]-3-oxopropyl}amino)-3-oxopropyl]-5-methylpyrimidine-4-carboxylic acid, 6-amino-2-[(1S)-3-amino-1-[[3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carboxylic acid, 2-{(1S)-1-[(2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-hydroxy-3-iminopropyl)amino]-3-hydroxy-3-iminopropyl}-6-imino-5-methyl-1,6-dihydropyrimidine-4-carboxylic acid
| Molecular Formula | C17H27N7O6 |
|---|---|
| Molecular Weight | 425.20 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 425.20227 |
| Heavy Atoms | 30 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 79304-40-8 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NCC(C(=O)N)NC(=O)OC(C)(C)C)C(=O)O |
| InChIKey | XVCYESGSBIEXAS-IENPIDJESA-N |
Product Overview
tert-Butyloxycarbonylpyrimidoblamic acid (CAS 79304-40-8), with molecular formula C17H27N7O6 and molecular weight 425.20 g/mol. IUPAC: 6-amino-2-[(1S)-3-amino-1-[[3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carboxylic acid.
Chemical Property Profile of tert-Butyloxycarbonylpyrimidoblamic acid
Property Insights of tert-Butyloxycarbonylpyrimidoblamic acid
The XLogP value of -4.2 indicates that tert-Butyloxycarbonylpyrimidoblamic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting tert-Butyloxycarbonylpyrimidoblamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butyloxycarbonylpyrimidoblamic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butyloxycarbonylpyrimidoblamic acid?
The CAS number of tert-Butyloxycarbonylpyrimidoblamic acid is 79304-40-8.
What is the molecular formula of tert-Butyloxycarbonylpyrimidoblamic acid?
The molecular formula of tert-Butyloxycarbonylpyrimidoblamic acid is C17H27N7O6.
What is the molecular weight of tert-Butyloxycarbonylpyrimidoblamic acid?
The molecular weight of tert-Butyloxycarbonylpyrimidoblamic acid is 425.20 g/mol.
Where can I buy tert-Butyloxycarbonylpyrimidoblamic acid?
You can request a quote for tert-Butyloxycarbonylpyrimidoblamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyloxycarbonylpyrimidoblamic acid?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyloxycarbonylpyrimidoblamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.