Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide
TL;DR: Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide (CAS 20460-96-2) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 2-methylpropyl carbonate
Also Known As: 4-Acetamidophenyl isobutyl carbonate, 4-Acetamidophenyl 2-methylpropyl carbonate, (4-acetamidophenyl) 2-methylpropyl carbonate, CARBONIC ACID, ISOBUTYL ESTER, ESTER with 4'-HYDROXYACETANILIDE, BRN 2133417
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 20460-96-2 |
|---|---|
| SMILES | CC(C)COC(=O)OC1=CC=C(C=C1)NC(=O)C |
| InChIKey | PGKOLYSUULYZTK-UHFFFAOYSA-N |
Product Overview
Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide (CAS 20460-96-2), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (4-acetamidophenyl) 2-methylpropyl carbonate.
Chemical Property Profile of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide
Property Insights of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide. Following Lipinski's Rule of Five, Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide has 1 hydrogen bond donor(s) and 4 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 Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide?
The CAS number of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide is 20460-96-2.
What is the molecular formula of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide?
The molecular formula of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide is C13H17NO4.
What is the molecular weight of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide?
The molecular weight of Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide is 251.12 g/mol.
Where can I buy Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide?
You can request a quote for Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, isobutyl ester, ester with 4'-hydroxyacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.