DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester
TL;DR: DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester (CAS 77386-87-9) is a chemical compound with molecular formula C16H24N4O3 and molecular weight 320.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-methylbutanoate
Also Known As: DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester, Valine, N-(p-(3,3-dimethyltriazeno)benzoyl)-, ethyl ester, DL-, ethyl (2S)-2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-methylbutanoate
| Molecular Formula | C16H24N4O3 |
|---|---|
| Molecular Weight | 320.18 g/mol |
| LogP | 2.5644 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.18484 |
| Heavy Atoms | 23 |
| Complexity | 552.9487 |
Chemical Identifiers
| CAS Number | 77386-87-9 |
|---|---|
| SMILES | CCOC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)N=NN(C)C |
Product Overview
DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester (CAS 77386-87-9), with molecular formula C16H24N4O3 and molecular weight 320.18 g/mol. IUPAC: ethyl (2S)-2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-methylbutanoate.
Chemical Property Profile of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester
Property Insights of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester
The XLogP value of 2.5644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester. Following Lipinski's Rule of Five, DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester has 1 hydrogen bond donor(s) and 5 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 DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester?
The CAS number of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester is 77386-87-9.
What is the molecular formula of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester?
The molecular formula of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester is C16H24N4O3.
What is the molecular weight of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester?
The molecular weight of DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester is 320.18 g/mol.
Where can I buy DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester?
You can request a quote for DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)valine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.