RefChem:385494
TL;DR: RefChem:385494 (CAS 105271-25-8) is a chemical compound with molecular formula C23H19IN4O2S and molecular weight 542.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-phenylthiourea
Also Known As: Thiourea, N-(4-(6-iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-phenyl-, N-(4-(6-Iodo-2-methyl-4-oxo-3(4H)-quinazolinyl)-3-methoxyphenyl)-N'-phenylthiourea, 1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-phenylthiourea, N-[4-(6-Iodo-2-methyl-4-oxoquinazolin-3(4H)-yl)-3-methoxyphenyl]-N'-phenylthiourea, RefChem:385494
| Molecular Formula | C23H19IN4O2S |
|---|---|
| Molecular Weight | 542.03 g/mol |
| LogP | 5.11622 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.02734 |
| Heavy Atoms | 31 |
| Complexity | 1338.9857 |
Chemical Identifiers
| CAS Number | 105271-25-8 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC=CC=C4)OC |
Product Overview
RefChem:385494 (CAS 105271-25-8), with molecular formula C23H19IN4O2S and molecular weight 542.03 g/mol. IUPAC: 1-[4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-3-methoxyphenyl]-3-phenylthiourea.
Chemical Property Profile of RefChem:385494
Property Insights of RefChem:385494
The XLogP value of 5.11622 indicates that RefChem:385494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:385494. Following Lipinski's Rule of Five, RefChem:385494 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:385494?
The CAS number of RefChem:385494 is 105271-25-8.
What is the molecular formula of RefChem:385494?
The molecular formula of RefChem:385494 is C23H19IN4O2S.
What is the molecular weight of RefChem:385494?
The molecular weight of RefChem:385494 is 542.03 g/mol.
Where can I buy RefChem:385494?
You can request a quote for RefChem:385494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385494?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.