3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate
TL;DR: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate (CAS 858745-98-9) is a chemical compound with molecular formula C29H27NO6 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 3-(phenylmethoxycarbonylamino)propanoate
Also Known As: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate, (3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl) 3-phenylmethoxycarbonylaminopropanoate, (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 3-(phenylmethoxycarbonylamino)propanoate, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl N-[(benzyloxy)carbonyl]-beta-alaninate
| Molecular Formula | C29H27NO6 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 5.22254 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.18384 |
| Heavy Atoms | 36 |
| Complexity | 1427.3708 |
Chemical Identifiers
| CAS Number | 858745-98-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)CCNC(=O)OCC4=CC=CC=C4 |
Product Overview
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate (CAS 858745-98-9), with molecular formula C29H27NO6 and molecular weight 485.18 g/mol. IUPAC: (3-benzyl-4,7-dimethyl-2-oxochromen-5-yl) 3-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate
Property Insights of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate
The XLogP value of 5.22254 indicates that 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate 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-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate 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-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
The CAS number of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate is 858745-98-9.
What is the molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
The molecular formula of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate is C29H27NO6.
What is the molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
The molecular weight of 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate is 485.18 g/mol.
Where can I buy 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
You can request a quote for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl 3-(((benzyloxy)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.