A3530/0149512
TL;DR: A3530/0149512 (CAS 695205-56-2) is a chemical compound with molecular formula C21H14ClF3N2O2S and molecular weight 450.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methoxydibenzofuran-3-yl)thiourea
Also Known As: A3530/0149512, N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-N'-(2-METHOXYDIBENZO[B,D]FURAN-3-YL)THIOUREA, 1-(2-chloro-5-(trifluoromethyl)phenyl)-3-(2-methoxydibenzo[b,d]furan-3-yl)thiourea, 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methoxydibenzo[b,d]furan-3-yl)thiourea, 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methoxydibenzofuran-3-yl)thiourea
| Molecular Formula | C21H14ClF3N2O2S |
|---|---|
| Molecular Weight | 450.04 g/mol |
| LogP | 7.0757 |
| Topological Polar Surface Area | 46.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.04166 |
| Heavy Atoms | 30 |
| Complexity | 1270.56 |
Chemical Identifiers
| CAS Number | 695205-56-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
A3530/0149512 (CAS 695205-56-2), with molecular formula C21H14ClF3N2O2S and molecular weight 450.04 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methoxydibenzofuran-3-yl)thiourea.
Chemical Property Profile of A3530/0149512
Property Insights of A3530/0149512
The XLogP value of 7.0757 indicates that A3530/0149512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.43 Ų, A3530/0149512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3530/0149512 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3530/0149512?
The CAS number of A3530/0149512 is 695205-56-2.
What is the molecular formula of A3530/0149512?
The molecular formula of A3530/0149512 is C21H14ClF3N2O2S.
What is the molecular weight of A3530/0149512?
The molecular weight of A3530/0149512 is 450.04 g/mol.
Where can I buy A3530/0149512?
You can request a quote for A3530/0149512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3530/0149512?
Yes, KEHONG BIO provides custom synthesis services for A3530/0149512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.