![1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea structure](/static/products/7012/701276-27-9.webp)
1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea
TL;DR: 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea (CAS 701276-27-9) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea
Also Known As: 1-[(3-butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea, (3-butoxyphenyl)-N-({[(4-nitrophenyl)amino]thioxomethyl}amino)carboxamide, 2-[(3-butoxyphenyl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.4051 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 811.26385 |
Chemical Identifiers
| CAS Number | 701276-27-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea (CAS 701276-27-9), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: 1-[(3-butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea
Property Insights of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea
The XLogP value of 3.4051 indicates that 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea has 3 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 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea?
The CAS number of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea is 701276-27-9.
What is the molecular formula of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea is C18H20N4O4S.
What is the molecular weight of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea is 388.12 g/mol.
Where can I buy 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Butoxybenzoyl)amino]-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.