A4078/0173774
TL;DR: A4078/0173774 (CAS 881602-49-9) is a chemical compound with molecular formula C27H28N2O3S and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one
Also Known As: A4078/0173774, 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one, 2-[(5-isopropyl-4-methoxy-2-methylbenzyl)thio]-3-(2-methoxyphenyl)quinazolin-4(3H)-one, 2-({[4-METHOXY-2-METHYL-5-(PROPAN-2-YL)PHENYL]METHYL}SULFANYL)-3-(2-METHOXYPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, 2-{[4-methoxy-2-methyl-5-(propan-2-yl)benzyl]sulfanyl}-3-(2-methoxyphenyl)quinazolin-4(3H)-one
| Molecular Formula | C27H28N2O3S |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 6.12702 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.18207 |
| Heavy Atoms | 33 |
| Complexity | 1361.5743 |
Chemical Identifiers
| CAS Number | 881602-49-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4OC)C(C)C)OC |
Product Overview
A4078/0173774 (CAS 881602-49-9), with molecular formula C27H28N2O3S and molecular weight 460.18 g/mol. IUPAC: 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one.
Chemical Property Profile of A4078/0173774
Property Insights of A4078/0173774
The XLogP value of 6.12702 indicates that A4078/0173774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, A4078/0173774 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4078/0173774 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4078/0173774?
The CAS number of A4078/0173774 is 881602-49-9.
What is the molecular formula of A4078/0173774?
The molecular formula of A4078/0173774 is C27H28N2O3S.
What is the molecular weight of A4078/0173774?
The molecular weight of A4078/0173774 is 460.18 g/mol.
Where can I buy A4078/0173774?
You can request a quote for A4078/0173774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4078/0173774?
Yes, KEHONG BIO provides custom synthesis services for A4078/0173774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.