![N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea structure](/static/products/1005/1005261-37-9.webp)
N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea
TL;DR: N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea (CAS 1005261-37-9) is a chemical compound with molecular formula C21H29ClN2O2S and molecular weight 408.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]phenyl]methyl]-3-prop-2-enylthiourea
Also Known As: N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea, 1-[[2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]phenyl]methyl]-3-prop-2-enylthiourea, 1-[(2-chloro-6-{[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxy}phenyl)methyl]-3-(prop-2-en-1-yl)thiourea, Thiourea, N-[[2-chloro-6-[[1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy]phenyl]methyl]-N'-2-propen-1-yl-
| Molecular Formula | C21H29ClN2O2S |
|---|---|
| Molecular Weight | 408.16 g/mol |
| LogP | 4.6051 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.16382 |
| Heavy Atoms | 27 |
| Complexity | 726.1332 |
Chemical Identifiers
| CAS Number | 1005261-37-9 |
|---|---|
| SMILES | CC(C)C12CCC(O1)(C(C2)OC3=C(C(=CC=C3)Cl)CNC(=S)NCC=C)C |
Product Overview
N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea (CAS 1005261-37-9), with molecular formula C21H29ClN2O2S and molecular weight 408.16 g/mol. IUPAC: 1-[[2-chloro-6-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]phenyl]methyl]-3-prop-2-enylthiourea.
Chemical Property Profile of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea
Property Insights of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea
The XLogP value of 4.6051 indicates that N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea has 2 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-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea?
The CAS number of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea is 1005261-37-9.
What is the molecular formula of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea?
The molecular formula of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea is C21H29ClN2O2S.
What is the molecular weight of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea?
The molecular weight of N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea is 408.16 g/mol.
Where can I buy N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea?
You can request a quote for N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}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-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-{2-chloro-6-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl)oxy]benzyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.