N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide
TL;DR: N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide (CAS 530136-75-5) is a chemical compound with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
Also Known As: N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide, N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide, N-{4-[(1-benzofuran-2-ylcarbonyl)amino]-3-methoxyphenyl}-N'-{[4-(butan-2-yloxy)phenyl]carbonyl}carbamimidothioic acid
| Molecular Formula | C28H27N3O5S |
|---|---|
| Molecular Weight | 517.17 g/mol |
| LogP | 5.9978 |
| Topological Polar Surface Area | 101.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.1671 |
| Heavy Atoms | 37 |
| Complexity | 1398.5441 |
Chemical Identifiers
| CAS Number | 530136-75-5 |
|---|---|
| SMILES | CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC |
Product Overview
N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide (CAS 530136-75-5), with molecular formula C28H27N3O5S and molecular weight 517.17 g/mol. IUPAC: N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide
Property Insights of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide
The XLogP value of 5.9978 indicates that N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide?
The CAS number of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide is 530136-75-5.
What is the molecular formula of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide?
The molecular formula of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide is C28H27N3O5S.
What is the molecular weight of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide?
The molecular weight of N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide is 517.17 g/mol.
Where can I buy N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide?
You can request a quote for N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(3-(4-(sec-butoxy)benzoyl)thioureido)-2-methoxyphenyl)benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.