ChemDiv3_005175
TL;DR: ChemDiv3_005175 (CAS 448914-67-8) is a chemical compound with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-prop-2-enylacetamide
Also Known As: ChemDiv3_005175, IDI1_023085, AJ-292/41302839, BRD-K82005634-001-01-7, N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-(prop-2-en-1-yl)acetamide
| Molecular Formula | C20H18ClN3O2S |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 4.6288 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.0808 |
| Heavy Atoms | 27 |
| Complexity | 923.1597 |
Chemical Identifiers
| CAS Number | 448914-67-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)N(CC=C)C2=NN=C(S2)C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_005175 (CAS 448914-67-8), with molecular formula C20H18ClN3O2S and molecular weight 399.08 g/mol. IUPAC: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-N-prop-2-enylacetamide.
Chemical Property Profile of ChemDiv3_005175
Property Insights of ChemDiv3_005175
The XLogP value of 4.6288 indicates that ChemDiv3_005175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, ChemDiv3_005175 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005175 has 0 hydrogen bond donor(s) and 5 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 ChemDiv3_005175?
The CAS number of ChemDiv3_005175 is 448914-67-8.
What is the molecular formula of ChemDiv3_005175?
The molecular formula of ChemDiv3_005175 is C20H18ClN3O2S.
What is the molecular weight of ChemDiv3_005175?
The molecular weight of ChemDiv3_005175 is 399.08 g/mol.
Where can I buy ChemDiv3_005175?
You can request a quote for ChemDiv3_005175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005175?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.