1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate
TL;DR: 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate (CAS 371949-91-6) is a chemical compound with molecular formula C21H15N3O4S and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarboximidothioate
Also Known As: (E)-benzo[d]oxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzimidothioate, 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate, 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarboximidothioate
| Molecular Formula | C21H15N3O4S |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 5.6152 |
| Topological Polar Surface Area | 90.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.07834 |
| Heavy Atoms | 29 |
| Complexity | 1169.0182 |
Chemical Identifiers
| CAS Number | 371949-91-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C(C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4O3 |
Product Overview
1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate (CAS 371949-91-6), with molecular formula C21H15N3O4S and molecular weight 405.08 g/mol. IUPAC: 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarboximidothioate.
Chemical Property Profile of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate
Property Insights of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate
The XLogP value of 5.6152 indicates that 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate. Following Lipinski's Rule of Five, 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate?
The CAS number of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate is 371949-91-6.
What is the molecular formula of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate?
The molecular formula of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate is C21H15N3O4S.
What is the molecular weight of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate?
The molecular weight of 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate is 405.08 g/mol.
Where can I buy 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate?
You can request a quote for 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-benzoxazol-2-yl N-(4-methoxyphenyl)-3-nitrobenzenecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.