A0646/0030021
TL;DR: A0646/0030021 (CAS 5468-01-9) is a chemical compound with molecular formula C18H17IN4O4 and molecular weight 480.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodo-2-methylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]butanediamide
Also Known As: A0646/0030021, N-(4-iodo-2-methylphenyl)-4-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-4-oxobutanamide, N-(4-iodo-2-methylphenyl)-4-[2-(4-nitrobenzylidene)hydrazino]-4-oxobutanamide, N-(4-iodo-2-methylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]butanediamide, N-(4-IODO-2-METHYLPHENYL)-3-{N'-[(E)-(4-NITROPHENYL)METHYLIDENE]HYDRAZINECARBONYL}PROPANAMIDE
| Molecular Formula | C18H17IN4O4 |
|---|---|
| Molecular Weight | 480.03 g/mol |
| LogP | 3.37682 |
| Topological Polar Surface Area | 113.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.02945 |
| Heavy Atoms | 27 |
| Complexity | 881.4304 |
Chemical Identifiers
| CAS Number | 5468-01-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=O)CCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
A0646/0030021 (CAS 5468-01-9), with molecular formula C18H17IN4O4 and molecular weight 480.03 g/mol. IUPAC: N-(4-iodo-2-methylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]butanediamide.
Chemical Property Profile of A0646/0030021
Property Insights of A0646/0030021
The XLogP value of 3.37682 indicates that A0646/0030021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A0646/0030021. Following Lipinski's Rule of Five, A0646/0030021 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 A0646/0030021?
The CAS number of A0646/0030021 is 5468-01-9.
What is the molecular formula of A0646/0030021?
The molecular formula of A0646/0030021 is C18H17IN4O4.
What is the molecular weight of A0646/0030021?
The molecular weight of A0646/0030021 is 480.03 g/mol.
Where can I buy A0646/0030021?
You can request a quote for A0646/0030021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0646/0030021?
Yes, KEHONG BIO provides custom synthesis services for A0646/0030021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.