RefChem:311222
TL;DR: RefChem:311222 (CAS 87126-55-4) is a chemical compound with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3R,4R)-3-[(4-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: (exo,exo)-3-(((4-Chlorophenyl)amino)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid, 7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, 3-((4-chlorophenyl)amino)carbonyl)-, (exo,exo)-, (1R,2R,3S,4S)-2-[(4-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, (1S,2S,3R,4R)-3-[(4-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C14H14ClNO4 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.06113 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 87126-55-4 |
|---|---|
| SMILES | C1C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | PQYZQPSVUBGXDH-NOOOWODRSA-N |
Product Overview
RefChem:311222 (CAS 87126-55-4), with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol. IUPAC: (1S,2S,3R,4R)-3-[(4-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of RefChem:311222
Property Insights of RefChem:311222
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311222. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311222. Following Lipinski's Rule of Five, RefChem:311222 has 2 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 RefChem:311222?
The CAS number of RefChem:311222 is 87126-55-4.
What is the molecular formula of RefChem:311222?
The molecular formula of RefChem:311222 is C14H14ClNO4.
What is the molecular weight of RefChem:311222?
The molecular weight of RefChem:311222 is 295.06 g/mol.
Where can I buy RefChem:311222?
You can request a quote for RefChem:311222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311222?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.