A2299/0096907
TL;DR: A2299/0096907 (CAS 5930-62-1) is a chemical compound with molecular formula C23H27N3O5S and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2299/0096907, ethyl 2-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-[5-NITRO-2-(PIPERIDIN-1-YL)BENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-({[5-nitro-2-(piperidin-1-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(5-nitro-2-(piperidin-1-yl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H27N3O5S |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 4.9544 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.16714 |
| Heavy Atoms | 32 |
| Complexity | 1042.4932 |
Chemical Identifiers
| CAS Number | 5930-62-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4 |
Product Overview
A2299/0096907 (CAS 5930-62-1), with molecular formula C23H27N3O5S and molecular weight 457.17 g/mol. IUPAC: ethyl 2-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2299/0096907
Property Insights of A2299/0096907
The XLogP value of 4.9544 indicates that A2299/0096907 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for A2299/0096907. Following Lipinski's Rule of Five, A2299/0096907 has 1 hydrogen bond donor(s) and 7 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 A2299/0096907?
The CAS number of A2299/0096907 is 5930-62-1.
What is the molecular formula of A2299/0096907?
The molecular formula of A2299/0096907 is C23H27N3O5S.
What is the molecular weight of A2299/0096907?
The molecular weight of A2299/0096907 is 457.17 g/mol.
Where can I buy A2299/0096907?
You can request a quote for A2299/0096907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2299/0096907?
Yes, KEHONG BIO provides custom synthesis services for A2299/0096907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.