IMR-1A
TL;DR: IMR-1A (CAS 2015213-30-4) is a chemical compound with molecular formula C13H11NO5S2 and molecular weight 325.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: IMR-1A, IMR-1A?, HY-100431A, BAS 00641718, J3.792.047I
| Molecular Formula | C13H11NO5S2 |
|---|---|
| Molecular Weight | 325.01 g/mol |
| LogP | 1.6474 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.00787 |
| Heavy Atoms | 21 |
| Complexity | 641.44885 |
Chemical Identifiers
| CAS Number | 2015213-30-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)OCC(=O)O |
Product Overview
IMR-1A (CAS 2015213-30-4), with molecular formula C13H11NO5S2 and molecular weight 325.01 g/mol. IUPAC: 2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of IMR-1A
Property Insights of IMR-1A
The XLogP value of 1.6474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IMR-1A. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for IMR-1A. Following Lipinski's Rule of Five, IMR-1A has 2 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 IMR-1A?
The CAS number of IMR-1A is 2015213-30-4.
What is the molecular formula of IMR-1A?
The molecular formula of IMR-1A is C13H11NO5S2.
What is the molecular weight of IMR-1A?
The molecular weight of IMR-1A is 325.01 g/mol.
Where can I buy IMR-1A?
You can request a quote for IMR-1A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IMR-1A?
Yes, KEHONG BIO provides custom synthesis services for IMR-1A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.