dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate
TL;DR: dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate (CAS 887348-97-2) is a chemical compound with molecular formula C18H15N5O5 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-(tetrazol-1-yl)benzoyl]amino]benzene-1,4-dicarboxylate
Also Known As: VU0607166-1, dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate, F3244-0392, dimethyl 2-[[4-(tetrazol-1-yl)benzoyl]amino]benzene-1,4-dicarboxylate, 1,4-dimethyl 2-[4-(1H-1,2,3,4-tetrazol-1-yl)benzamido]benzene-1,4-dicarboxylate
| Molecular Formula | C18H15N5O5 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 1.4878 |
| Topological Polar Surface Area | 125.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.10733 |
| Heavy Atoms | 28 |
| Complexity | 1015.3554 |
Chemical Identifiers
| CAS Number | 887348-97-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)N3C=NN=N3 |
Product Overview
dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate (CAS 887348-97-2), with molecular formula C18H15N5O5 and molecular weight 381.11 g/mol. IUPAC: dimethyl 2-[[4-(tetrazol-1-yl)benzoyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate
Property Insights of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate
The XLogP value of 1.4878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate. The TPSA of 125.3 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate 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 dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate?
The CAS number of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate is 887348-97-2.
What is the molecular formula of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate?
The molecular formula of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate is C18H15N5O5.
What is the molecular weight of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate?
The molecular weight of dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate is 381.11 g/mol.
Where can I buy dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate?
You can request a quote for dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(4-(1H-tetrazol-1-yl)benzamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.