![3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate structure](/static/products/858/858744-80-6.png)
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
TL;DR: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate (CAS 858744-80-6) is a chemical compound with molecular formula C31H31NO6 and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4-methyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate
Also Known As: EiM07-19029, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate, (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 6-phenylmethoxycarbonylaminohexanoate, (3-benzyl-4-methyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-(((benzyloxy)carbonyl)amino)hexanoate
| Molecular Formula | C31H31NO6 |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 6.08442 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 513.21515 |
| Heavy Atoms | 38 |
| Complexity | 1429.7311 |
Chemical Identifiers
| CAS Number | 858744-80-6 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCCCCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate (CAS 858744-80-6), with molecular formula C31H31NO6 and molecular weight 513.22 g/mol. IUPAC: (3-benzyl-4-methyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate.
Chemical Property Profile of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
Property Insights of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate
The XLogP value of 6.08442 indicates that 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate. Following Lipinski's Rule of Five, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate has 1 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 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate?
The CAS number of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate is 858744-80-6.
What is the molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate?
The molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate is C31H31NO6.
What is the molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate?
The molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate is 513.22 g/mol.
Where can I buy 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate?
You can request a quote for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 6-{[(benzyloxy)carbonyl]amino}hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.