![(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate structure](/static/products/956/956436-33-2.png)
(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
TL;DR: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CAS 956436-33-2) is a chemical compound with molecular formula C29H35NO6 and molecular weight 493.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate, (S)-3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
| Molecular Formula | C29H35NO6 |
|---|---|
| Molecular Weight | 493.25 g/mol |
| LogP | 5.84544 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.24643 |
| Heavy Atoms | 36 |
| Complexity | 1301.3195 |
Chemical Identifiers
| CAS Number | 956436-33-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC3=CC=CC=C3 |
Product Overview
(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CAS 956436-33-2), with molecular formula C29H35NO6 and molecular weight 493.25 g/mol. IUPAC: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
Chemical Property Profile of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Property Insights of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
The XLogP value of 5.84544 indicates that (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate 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-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate. Following Lipinski's Rule of Five, (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate 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-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The CAS number of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is 956436-33-2.
What is the molecular formula of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The molecular formula of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is C29H35NO6.
What is the molecular weight of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The molecular weight of (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is 493.25 g/mol.
Where can I buy (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
You can request a quote for (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.