![4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester structure](/static/products/5670/56701-28-1.webp)
4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester
TL;DR: 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester (CAS 56701-28-1) is a chemical compound with molecular formula C20H27NO8S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxy-2-methoxysulfonyl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl 4-acetamidobutanoate
Also Known As: 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester
| Molecular Formula | C20H27NO8S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.14575 |
| Heavy Atoms | 30 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 56701-28-1 |
|---|---|
| SMILES | CC(=O)NCCCC(=O)OC=C1C(CCC2=CC(=C(C=C21)OC)OC)S(=O)(=O)OC |
| InChIKey | VBBNZCOQXFSDBI-UHFFFAOYSA-N |
Product Overview
4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester (CAS 56701-28-1), with molecular formula C20H27NO8S and molecular weight 441.15 g/mol. IUPAC: (6,7-dimethoxy-2-methoxysulfonyl-3,4-dihydro-2H-naphthalen-1-ylidene)methyl 4-acetamidobutanoate.
Chemical Property Profile of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester
Property Insights of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester. Following Lipinski's Rule of Five, 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester has 1 hydrogen bond donor(s) and 8 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 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester?
The CAS number of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester is 56701-28-1.
What is the molecular formula of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester?
The molecular formula of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester is C20H27NO8S.
What is the molecular weight of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester?
The molecular weight of 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester is 441.15 g/mol.
Where can I buy 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester?
You can request a quote for 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)butyric acid [3,4-dihydro-6,7-dimethoxy-2-(methoxysulfonyl)naphthalen-1(2H)-ylidene]methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.