![N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide structure](/static/products/4138/4138-10-7.webp)
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
TL;DR: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide (CAS 4138-10-7) is a chemical compound with molecular formula C23H25FN4O6 and molecular weight 472.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
Also Known As: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide, 3-({[(3-Fluorophenyl)imino](hydroxy)methyl}amino)-4,5-dihydroxy-N-[1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]cyclohex-1-ene-1-carboximidic acid
| Molecular Formula | C23H25FN4O6 |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 0.2861 |
| Topological Polar Surface Area | 174.01 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.1758 |
| Heavy Atoms | 34 |
| Complexity | 1091.1228 |
Chemical Identifiers
| CAS Number | 4138-10-7 |
|---|---|
| SMILES | C1C(C(C(C=C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)NC3=CC(=CC=C3)F)O)O |
Product Overview
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide (CAS 4138-10-7), with molecular formula C23H25FN4O6 and molecular weight 472.18 g/mol. IUPAC: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide.
Chemical Property Profile of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
Property Insights of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
The XLogP value of 0.2861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide. The TPSA of 174.01 Ų indicates high polarity, suggesting N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide has 7 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-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide?
The CAS number of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide is 4138-10-7.
What is the molecular formula of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide?
The molecular formula of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide is C23H25FN4O6.
What is the molecular weight of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide?
The molecular weight of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide is 472.18 g/mol.
Where can I buy N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide?
You can request a quote for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.