VU0456916-1
TL;DR: VU0456916-1 (CAS 438228-47-8) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Also Known As: VU0456916-1, N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide, N-[3-(aminocarbonyl)-5-isopropyl-2-thienyl]-5-({2-nitro-4-methylphenoxy}methyl)-2-furamide, N-[3-(AMINOCARBONYL)-5-ISOPROPYL-2-THIENYL]-5-[(4-METHYL-2-NITROPHENOXY)METHYL]-2-FURAMIDE, N-[3-carbamoyl-5-(propan-2-yl)thiophen-2-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 4.61132 |
| Topological Polar Surface Area | 137.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 1147.9441 |
Chemical Identifiers
| CAS Number | 438228-47-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=C(C=C(S3)C(C)C)C(=O)N)[N+](=O)[O-] |
Product Overview
VU0456916-1 (CAS 438228-47-8), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.
Chemical Property Profile of VU0456916-1
Property Insights of VU0456916-1
The XLogP value of 4.61132 indicates that VU0456916-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.7 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0456916-1. Following Lipinski's Rule of Five, VU0456916-1 has 2 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 VU0456916-1?
The CAS number of VU0456916-1 is 438228-47-8.
What is the molecular formula of VU0456916-1?
The molecular formula of VU0456916-1 is C21H21N3O6S.
What is the molecular weight of VU0456916-1?
The molecular weight of VU0456916-1 is 443.12 g/mol.
Where can I buy VU0456916-1?
You can request a quote for VU0456916-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0456916-1?
Yes, KEHONG BIO provides custom synthesis services for VU0456916-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.