IDI1_022660
TL;DR: IDI1_022660 (CAS 590377-76-7) is a chemical compound with molecular formula C16H19N3O5S and molecular weight 365.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Also Known As: IDI1_022660, BRD-K55483635-001-01-8, (2E)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, (E)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, (2E)-N-[5-(methoxymethyl)(1,3,4-thiadiazol-2-yl)]-3-(3,4,5-trimethoxyphenyl)pr op-2-enamide
| Molecular Formula | C16H19N3O5S |
|---|---|
| Molecular Weight | 365.10 g/mol |
| LogP | 2.3622 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.10455 |
| Heavy Atoms | 25 |
| Complexity | 734.97363 |
Chemical Identifiers
| CAS Number | 590377-76-7 |
|---|---|
| SMILES | COCC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
IDI1_022660 (CAS 590377-76-7), with molecular formula C16H19N3O5S and molecular weight 365.10 g/mol. IUPAC: (E)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of IDI1_022660
Property Insights of IDI1_022660
The XLogP value of 2.3622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_022660. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_022660. Following Lipinski's Rule of Five, IDI1_022660 has 1 hydrogen bond donor(s) and 8 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 IDI1_022660?
The CAS number of IDI1_022660 is 590377-76-7.
What is the molecular formula of IDI1_022660?
The molecular formula of IDI1_022660 is C16H19N3O5S.
What is the molecular weight of IDI1_022660?
The molecular weight of IDI1_022660 is 365.10 g/mol.
Where can I buy IDI1_022660?
You can request a quote for IDI1_022660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_022660?
Yes, KEHONG BIO provides custom synthesis services for IDI1_022660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.