9R-0387
TL;DR: 9R-0387 (CAS 439121-07-0) is a chemical compound with molecular formula C27H28ClN3O3S and molecular weight 509.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxyquinazolin-4-imine
Also Known As: 9R-0387, 3-(3-chloro-4-methoxybenzyl)-2-[(2,5-dimethylbenzyl)sulfanyl]-6,7-dimethoxy-4(3H)-quinazolinimine, 3-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxyquinazolin-4-imine, 3-[(3-chloro-4-methoxyphenyl)methyl]-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C27H28ClN3O3S |
|---|---|
| Molecular Weight | 509.15 g/mol |
| LogP | 6.15241 |
| Topological Polar Surface Area | 69.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.154 |
| Heavy Atoms | 35 |
| Complexity | 1452.294 |
Chemical Identifiers
| CAS Number | 439121-07-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=C(C=C4)OC)Cl)OC)OC |
Product Overview
9R-0387 (CAS 439121-07-0), with molecular formula C27H28ClN3O3S and molecular weight 509.15 g/mol. IUPAC: 3-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6,7-dimethoxyquinazolin-4-imine.
Chemical Property Profile of 9R-0387
Property Insights of 9R-0387
The XLogP value of 6.15241 indicates that 9R-0387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0387. Following Lipinski's Rule of Five, 9R-0387 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9R-0387?
The CAS number of 9R-0387 is 439121-07-0.
What is the molecular formula of 9R-0387?
The molecular formula of 9R-0387 is C27H28ClN3O3S.
What is the molecular weight of 9R-0387?
The molecular weight of 9R-0387 is 509.15 g/mol.
Where can I buy 9R-0387?
You can request a quote for 9R-0387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-0387?
Yes, KEHONG BIO provides custom synthesis services for 9R-0387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.