![(2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide structure](/static/products/3645/364595-27-7.webp)
(2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide
TL;DR: (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide (CAS 364595-27-7) is a chemical compound with molecular formula C23H16ClN3O3S and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
Also Known As: (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide, (E)-N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-3-(4-chlorophenyl)acrylamide, (E)-N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide, (E)-N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
| Molecular Formula | C23H16ClN3O3S |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 5.3802 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0601 |
| Heavy Atoms | 31 |
| Complexity | 1266.178 |
Chemical Identifiers
| CAS Number | 364595-27-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC=C(C=C4)Cl)O |
Product Overview
(2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide (CAS 364595-27-7), with molecular formula C23H16ClN3O3S and molecular weight 449.06 g/mol. IUPAC: (E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide.
Chemical Property Profile of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide
Property Insights of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide
The XLogP value of 5.3802 indicates that (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide?
The CAS number of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide is 364595-27-7.
What is the molecular formula of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide?
The molecular formula of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide is C23H16ClN3O3S.
What is the molecular weight of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide?
The molecular weight of (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide is 449.06 g/mol.
Where can I buy (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide?
You can request a quote for (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-3-(4-chlorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.