![4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate structure](/static/products/5870/587008-59-1.webp)
4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
TL;DR: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate (CAS 587008-59-1) is a chemical compound with molecular formula C24H24ClNO6 and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-6-chloro-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate
Also Known As: EiM07-20303, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate, (4-butyl-6-chloro-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 3-(((benzyloxy)carbonyl)amino)propanoate, 4-BUTYL-6-CHLORO-2-OXO-2H-CHROMEN-7-YL 3-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE
| Molecular Formula | C24H24ClNO6 |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 5.0109 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.1292 |
| Heavy Atoms | 32 |
| Complexity | 1142.4298 |
Chemical Identifiers
| CAS Number | 587008-59-1 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3 |
Product Overview
4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate (CAS 587008-59-1), with molecular formula C24H24ClNO6 and molecular weight 457.13 g/mol. IUPAC: (4-butyl-6-chloro-2-oxochromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Property Insights of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
The XLogP value of 5.0109 indicates that 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate 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 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate. Following Lipinski's Rule of Five, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate 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 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
The CAS number of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate is 587008-59-1.
What is the molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
The molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate is C24H24ClNO6.
What is the molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
The molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate is 457.13 g/mol.
Where can I buy 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
You can request a quote for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.