N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea
TL;DR: N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea (CAS 70070-08-5) is a chemical compound with molecular formula C19H21FN2O3S and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-3-(3-fluorophenyl)thiourea
Also Known As: N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea, Thiourea, N-((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)-, 1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-3-(3-fluorophenyl)thiourea, N'-[(6,7-Dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-N-(3-fluorophenyl)carbamimidothioic acid, BRN 1403311
| Molecular Formula | C19H21FN2O3S |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 3.4433 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.1257 |
| Heavy Atoms | 26 |
| Complexity | 800.3489 |
Chemical Identifiers
| CAS Number | 70070-08-5 |
|---|---|
| SMILES | COC1=C(C=C2C(OCCC2=C1)CNC(=S)NC3=CC(=CC=C3)F)OC |
Product Overview
N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea (CAS 70070-08-5), with molecular formula C19H21FN2O3S and molecular weight 376.13 g/mol. IUPAC: 1-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-3-(3-fluorophenyl)thiourea.
Chemical Property Profile of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea
Property Insights of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea
The XLogP value of 3.4433 indicates that N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.75 Ų, N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea has 2 hydrogen bond donor(s) and 4 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-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea?
The CAS number of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea is 70070-08-5.
What is the molecular formula of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea?
The molecular formula of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea is C19H21FN2O3S.
What is the molecular weight of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea?
The molecular weight of N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea is 376.13 g/mol.
Where can I buy N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea?
You can request a quote for N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)-N'-(3-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.