![N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester structure](/static/products/3135/313507-40-3.webp)
N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
TL;DR: N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 313507-40-3) is a chemical compound with molecular formula C21H26ClNO6 and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-4-methyl-2-oxochromen-7-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, 6-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(tert-butoxycarbonyl)-L-isoleucinate, (6-chloro-4-methyl-2-oxochromen-7-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
| Molecular Formula | C21H26ClNO6 |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 4.59962 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.14487 |
| Heavy Atoms | 29 |
| Complexity | 975.52075 |
Chemical Identifiers
| CAS Number | 313507-40-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl)NC(=O)OC(C)(C)C |
Product Overview
N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 313507-40-3), with molecular formula C21H26ClNO6 and molecular weight 423.14 g/mol. IUPAC: (6-chloro-4-methyl-2-oxochromen-7-yl) (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
Chemical Property Profile of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
Property Insights of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
The XLogP value of 4.59962 indicates that N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester 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 N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester. Following Lipinski's Rule of Five, N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The CAS number of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 313507-40-3.
What is the molecular formula of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular formula of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is C21H26ClNO6.
What is the molecular weight of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular weight of N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 423.14 g/mol.
Where can I buy N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
You can request a quote for N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.