![N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea structure](/static/products/3384/338409-40-8.webp)
N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea
TL;DR: N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea (CAS 338409-40-8) is a chemical compound with molecular formula C12H14ClF3N4S and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-prop-2-enylthiourea
Also Known As: N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(prop-2-en-1-yl)thiourea, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-prop-2-enylthiourea, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-prop-2-enyl-thiourea, 1-allyl-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]thiourea
| Molecular Formula | C12H14ClF3N4S |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 2.8158 |
| Topological Polar Surface Area | 48.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.05798 |
| Heavy Atoms | 21 |
| Complexity | 507.76617 |
Chemical Identifiers
| CAS Number | 338409-40-8 |
|---|---|
| SMILES | C=CCNC(=S)NCCNC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea (CAS 338409-40-8), with molecular formula C12H14ClF3N4S and molecular weight 338.06 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea
Property Insights of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea
The XLogP value of 2.8158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea. With a topological polar surface area (TPSA) of 48.98 Ų, N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea has 3 hydrogen bond donor(s) and 3 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 N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea?
The CAS number of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea is 338409-40-8.
What is the molecular formula of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea?
The molecular formula of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea is C12H14ClF3N4S.
What is the molecular weight of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea?
The molecular weight of N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea is 338.06 g/mol.
Where can I buy N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea?
You can request a quote for N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.