4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate
TL;DR: 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate (CAS 55805-17-9) is a chemical compound with molecular formula C11H8N2O5S and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate
Also Known As: 4-Nitrophenyl (thiazol-5-ylmethyl) carbonate, ((5-THIAZOLYL)METHYL)-(4-NITROPHENYL)CARBONATE, ( - carbonate, Thiazolylmethyl-4-nitrophenylcarbonate, Ritonavir Impurity 2
| Molecular Formula | C11H8N2O5S |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 2.7669 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.01538 |
| Heavy Atoms | 19 |
| Complexity | 567.2813 |
Chemical Identifiers
| CAS Number | 55805-17-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCC2=CN=CS2 |
Product Overview
4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate (CAS 55805-17-9), with molecular formula C11H8N2O5S and molecular weight 280.02 g/mol. IUPAC: (4-nitrophenyl) 1,3-thiazol-5-ylmethyl carbonate.
Chemical Property Profile of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate
Property Insights of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate
The XLogP value of 2.7669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate. Following Lipinski's Rule of Five, 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate has 0 hydrogen bond donor(s) and 7 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 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate?
The CAS number of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate is 55805-17-9.
What is the molecular formula of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate?
The molecular formula of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate is C11H8N2O5S.
What is the molecular weight of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate?
The molecular weight of 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate is 280.02 g/mol.
Where can I buy 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate?
You can request a quote for 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 1,3-thiazol-5-ylmethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.