Dimethyl 4-(acetylamino)isophthalate
TL;DR: Dimethyl 4-(acetylamino)isophthalate (CAS 58867-72-4) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
Also Known As: Maybridge3_000899, dimethyl 4-(acetylamino)isophthalate, IDI1_012286, dimethyl 4-acetamidobenzene-1,3-dicarboxylate, 4-acetylamino-isophthalic acid dimethyl ester
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.2182 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 495.24118 |
Chemical Identifiers
| CAS Number | 58867-72-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 4-(acetylamino)isophthalate (CAS 58867-72-4), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: dimethyl 4-acetamidobenzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 4-(acetylamino)isophthalate
Property Insights of Dimethyl 4-(acetylamino)isophthalate
The XLogP value of 1.2182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-(acetylamino)isophthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-(acetylamino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 4-(acetylamino)isophthalate 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 Dimethyl 4-(acetylamino)isophthalate?
The CAS number of Dimethyl 4-(acetylamino)isophthalate is 58867-72-4.
What is the molecular formula of Dimethyl 4-(acetylamino)isophthalate?
The molecular formula of Dimethyl 4-(acetylamino)isophthalate is C12H13NO5.
What is the molecular weight of Dimethyl 4-(acetylamino)isophthalate?
The molecular weight of Dimethyl 4-(acetylamino)isophthalate is 251.08 g/mol.
Where can I buy Dimethyl 4-(acetylamino)isophthalate?
You can request a quote for Dimethyl 4-(acetylamino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-(acetylamino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-(acetylamino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.