CAS 1164554-75-9 - C21H17N3O5S2
TL;DR: CAS 1164554-75-9 - C21H17N3O5S2 (CAS 1164554-75-9) is a chemical compound with molecular formula C21H17N3O5S2 and molecular weight 455.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: benzyl 2-({5-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C21H17N3O5S2 |
|---|---|
| Molecular Weight | 455.06 g/mol |
| LogP | 3.7542 |
| Topological Polar Surface Area | 99.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.06097 |
| Heavy Atoms | 31 |
| Complexity | 1101.4044 |
Chemical Identifiers
| CAS Number | 1164554-75-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NN=C(S3)SCC(=O)OCC4=CC=CC=C4 |
Product Overview
CAS 1164554-75-9 - C21H17N3O5S2 (CAS 1164554-75-9), with molecular formula C21H17N3O5S2 and molecular weight 455.06 g/mol. IUPAC: benzyl 2-[[5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of CAS 1164554-75-9 - C21H17N3O5S2
Property Insights of CAS 1164554-75-9 - C21H17N3O5S2
The XLogP value of 3.7542 indicates that CAS 1164554-75-9 - C21H17N3O5S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.64 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 1164554-75-9 - C21H17N3O5S2. Following Lipinski's Rule of Five, CAS 1164554-75-9 - C21H17N3O5S2 has 1 hydrogen bond donor(s) and 9 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 CAS 1164554-75-9 - C21H17N3O5S2?
The CAS number of CAS 1164554-75-9 - C21H17N3O5S2 is 1164554-75-9.
What is the molecular formula of CAS 1164554-75-9 - C21H17N3O5S2?
The molecular formula of CAS 1164554-75-9 - C21H17N3O5S2 is C21H17N3O5S2.
What is the molecular weight of CAS 1164554-75-9 - C21H17N3O5S2?
The molecular weight of CAS 1164554-75-9 - C21H17N3O5S2 is 455.06 g/mol.
Where can I buy CAS 1164554-75-9 - C21H17N3O5S2?
You can request a quote for CAS 1164554-75-9 - C21H17N3O5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 1164554-75-9 - C21H17N3O5S2?
Yes, KEHONG BIO provides custom synthesis services for CAS 1164554-75-9 - C21H17N3O5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.