endo CNTinh-03
TL;DR: endo CNTinh-03 (CAS 345288-49-5) is a chemical compound with molecular formula C23H25NO5S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-methoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: endo CNTinh-03, BIM-0046518.P001, 3-{[3-(methoxycarbonyl)-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 2-[[3-methoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-((3-(Methoxycarbonyl)-5-methyl-4-(p-tolyl)thiophen-2-yl)carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 4.50394 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 1009.34595 |
Chemical Identifiers
| CAS Number | 345288-49-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O)C |
Product Overview
endo CNTinh-03 (CAS 345288-49-5), with molecular formula C23H25NO5S and molecular weight 427.15 g/mol. IUPAC: 3-[[3-methoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of endo CNTinh-03
Property Insights of endo CNTinh-03
The XLogP value of 4.50394 indicates that endo CNTinh-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for endo CNTinh-03. Following Lipinski's Rule of Five, endo CNTinh-03 has 2 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 endo CNTinh-03?
The CAS number of endo CNTinh-03 is 345288-49-5.
What is the molecular formula of endo CNTinh-03?
The molecular formula of endo CNTinh-03 is C23H25NO5S.
What is the molecular weight of endo CNTinh-03?
The molecular weight of endo CNTinh-03 is 427.15 g/mol.
Where can I buy endo CNTinh-03?
You can request a quote for endo CNTinh-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for endo CNTinh-03?
Yes, KEHONG BIO provides custom synthesis services for endo CNTinh-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.