Tienam
TL;DR: Tienam (CAS 85946-92-5) is a chemical compound with molecular formula C13H15ClO3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Tienam
1-(4-chlorophenyl)-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: Tienam, 4-Ethyl-1-(4-chlorophenyl)bicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-chlorophenyl)-4-ethyl-, Orthobenzoic acid, p-chloro-, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, p-Chloroorthobenzoic acid cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
| Molecular Formula | C13H15ClO3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07097 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 85946-92-5 |
|---|---|
| SMILES | CCC12COC(OC1)(OC2)C3=CC=C(C=C3)Cl |
| InChIKey | LZJTUXDLXKEXBI-UHFFFAOYSA-N |
Product Overview
Tienam (CAS 85946-92-5), with molecular formula C13H15ClO3 and molecular weight 254.07 g/mol. IUPAC: 1-(4-chlorophenyl)-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of Tienam
Property Insights of Tienam
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tienam. With a topological polar surface area (TPSA) of 27.7 Ų, Tienam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tienam has 0 hydrogen bond donor(s) and 3 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 Tienam?
The CAS number of Tienam is 85946-92-5.
What is the molecular formula of Tienam?
The molecular formula of Tienam is C13H15ClO3.
What is the molecular weight of Tienam?
The molecular weight of Tienam is 254.07 g/mol.
Where can I buy Tienam?
You can request a quote for Tienam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tienam?
Yes, KEHONG BIO provides custom synthesis services for Tienam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.