![methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate structure](/static/products/1004/1004880-63-0.webp)
methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
TL;DR: methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate (CAS 1004880-63-0) is a chemical compound with molecular formula C28H23NO9 and molecular weight 517.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-oxo-7-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]oxychromen-3-yl]oxybenzoate
Also Known As: methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate, methyl 4-[4-oxo-7-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]oxychromen-3-yl]oxybenzoate, Methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-1-benzopyran-3-yl]oxy}benzoate, N-[(Phenylmethoxy)carbonyl]-L-alanine 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-4H-1-benzopyran-7-yl ester
| Molecular Formula | C28H23NO9 |
|---|---|
| Molecular Weight | 517.14 g/mol |
| LogP | 4.5922 |
| Topological Polar Surface Area | 130.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.13727 |
| Heavy Atoms | 38 |
| Complexity | 1511.3928 |
Chemical Identifiers
| CAS Number | 1004880-63-0 |
|---|---|
| SMILES | C[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC)NC(=O)OCC4=CC=CC=C4 |
Product Overview
methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate (CAS 1004880-63-0), with molecular formula C28H23NO9 and molecular weight 517.14 g/mol. IUPAC: methyl 4-[4-oxo-7-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]oxychromen-3-yl]oxybenzoate.
Chemical Property Profile of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
Property Insights of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
The XLogP value of 4.5922 indicates that methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate. Following Lipinski's Rule of Five, methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate?
The CAS number of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate is 1004880-63-0.
What is the molecular formula of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate?
The molecular formula of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate is C28H23NO9.
What is the molecular weight of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate?
The molecular weight of methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate is 517.14 g/mol.
Where can I buy methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate?
You can request a quote for methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[7-({N-[(benzyloxy)carbonyl]-L-alanyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.