IFLab1_005675
TL;DR: IFLab1_005675 (CAS 314283-27-7) is a chemical compound with molecular formula C15H19NO5S and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: IFLab1_005675, BAS 00676143, IDI1_011078, methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-(4-METHOXY-4-OXOBUTANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C15H19NO5S |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.0984 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 314283-27-7 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
| InChIKey | HCCPEWLYJKJJEC-UHFFFAOYSA-N |
Product Overview
IFLab1_005675 (CAS 314283-27-7), with molecular formula C15H19NO5S and molecular weight 325.10 g/mol. IUPAC: methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of IFLab1_005675
Property Insights of IFLab1_005675
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005675. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005675. Following Lipinski's Rule of Five, IFLab1_005675 has 1 hydrogen bond donor(s) and 6 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 IFLab1_005675?
The CAS number of IFLab1_005675 is 314283-27-7.
What is the molecular formula of IFLab1_005675?
The molecular formula of IFLab1_005675 is C15H19NO5S.
What is the molecular weight of IFLab1_005675?
The molecular weight of IFLab1_005675 is 325.10 g/mol.
Where can I buy IFLab1_005675?
You can request a quote for IFLab1_005675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005675?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.