ChemDiv1_003771
TL;DR: ChemDiv1_003771 (CAS 312626-76-9) is a chemical compound with molecular formula C30H25N3O3S2 and molecular weight 539.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
Also Known As: ChemDiv1_003771, 2-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one, 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one, 2-[3-(benzothiazol-2-ylthiomethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2,3- trihydroquinazolin-4-one, 2-{3-[(1,3-BENZOTHIAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}-3-(4-METHOXYPHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
| Molecular Formula | C30H25N3O3S2 |
|---|---|
| Molecular Weight | 539.13 g/mol |
| LogP | 7.3769 |
| Topological Polar Surface Area | 63.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1337 |
| Heavy Atoms | 38 |
| Complexity | 1584.2177 |
Chemical Identifiers
| CAS Number | 312626-76-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC)CSC5=NC6=CC=CC=C6S5 |
Product Overview
ChemDiv1_003771 (CAS 312626-76-9), with molecular formula C30H25N3O3S2 and molecular weight 539.13 g/mol. IUPAC: 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of ChemDiv1_003771
Property Insights of ChemDiv1_003771
The XLogP value of 7.3769 indicates that ChemDiv1_003771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003771. Following Lipinski's Rule of Five, ChemDiv1_003771 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003771?
The CAS number of ChemDiv1_003771 is 312626-76-9.
What is the molecular formula of ChemDiv1_003771?
The molecular formula of ChemDiv1_003771 is C30H25N3O3S2.
What is the molecular weight of ChemDiv1_003771?
The molecular weight of ChemDiv1_003771 is 539.13 g/mol.
Where can I buy ChemDiv1_003771?
You can request a quote for ChemDiv1_003771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003771?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.