RefChem:269224
TL;DR: RefChem:269224 (CAS 111897-72-4) is a chemical compound with molecular formula C19H21N7O4S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea
Also Known As: 1-(5-(3,4-Dimethoxyphenyl)tetrazol-2-ylacetyl)-4-(4-methoxyphenyl)thiosemicarbazide, 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((4-methoxyphenyl)amino)thioxomethyl)hydrazide, 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea, 2-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]acetyl}-N-(4-methoxyphenyl)hydrazine-1-carbothioamide, RefChem:269224
| Molecular Formula | C19H21N7O4S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 1.3837 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.13757 |
| Heavy Atoms | 31 |
| Complexity | 1055.6648 |
Chemical Identifiers
| CAS Number | 111897-72-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC |
Product Overview
RefChem:269224 (CAS 111897-72-4), with molecular formula C19H21N7O4S and molecular weight 443.14 g/mol. IUPAC: 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of RefChem:269224
Property Insights of RefChem:269224
The XLogP value of 1.3837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:269224. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:269224. Following Lipinski's Rule of Five, RefChem:269224 has 3 hydrogen bond donor(s) and 8 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 RefChem:269224?
The CAS number of RefChem:269224 is 111897-72-4.
What is the molecular formula of RefChem:269224?
The molecular formula of RefChem:269224 is C19H21N7O4S.
What is the molecular weight of RefChem:269224?
The molecular weight of RefChem:269224 is 443.14 g/mol.
Where can I buy RefChem:269224?
You can request a quote for RefChem:269224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269224?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.