IFLab1_004379
TL;DR: IFLab1_004379 (CAS 327094-27-9) is a chemical compound with molecular formula C19H19NO5S and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
Also Known As: IFLab1_004379, IDI1_010134, (2E)-3-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid, (2E)-3-[4-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]prop-2-enoic acid, (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methoxyphenyl)acrylic acid
| Molecular Formula | C19H19NO5S |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 2.54 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0984 |
| Heavy Atoms | 26 |
| Complexity | 965.64484 |
Chemical Identifiers
| CAS Number | 327094-27-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
IFLab1_004379 (CAS 327094-27-9), with molecular formula C19H19NO5S and molecular weight 373.10 g/mol. IUPAC: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of IFLab1_004379
Property Insights of IFLab1_004379
The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004379. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004379. Following Lipinski's Rule of Five, IFLab1_004379 has 1 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 IFLab1_004379?
The CAS number of IFLab1_004379 is 327094-27-9.
What is the molecular formula of IFLab1_004379?
The molecular formula of IFLab1_004379 is C19H19NO5S.
What is the molecular weight of IFLab1_004379?
The molecular weight of IFLab1_004379 is 373.10 g/mol.
Where can I buy IFLab1_004379?
You can request a quote for IFLab1_004379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004379?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.