![Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester structure](/static/products/1820/182004-65-5.webp)
Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
TL;DR: Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester (CAS 182004-65-5) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
Also Known As: HSCI1_000220, 2-[4-(4-Nitrobenzyloxy)phenethyl]isothiourea, 2-[2-[4-(4-nitrobenzyloxy)phenyl]ethyl]isothiourea, 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate, 4-((4-Nitrobenzyl)oxy)phenethyl carbamimidothioate
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.34297 |
| Topological Polar Surface Area | 102.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 671.97473 |
Chemical Identifiers
| CAS Number | 182004-65-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester (CAS 182004-65-5), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
Property Insights of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
The XLogP value of 3.34297 indicates that Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester. Following Lipinski's Rule of Five, Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester has 2 hydrogen bond donor(s) and 5 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 Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester?
The CAS number of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester is 182004-65-5.
What is the molecular formula of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester?
The molecular formula of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester is C16H17N3O3S.
What is the molecular weight of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester?
The molecular weight of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester is 331.10 g/mol.
Where can I buy Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester?
You can request a quote for Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.