A3695/0156806
TL;DR: A3695/0156806 (CAS 579446-79-0) is a chemical compound with molecular formula C22H29N3O3S and molecular weight 415.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-7,7-dimethyl-1-(2-morpholin-4-ylethyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
Also Known As: A3695/0156806, 2-(4-methoxyphenyl)-7,7-dimethyl-1-[2-(4-morpholinyl)ethyl]-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione, 2-(4-methoxyphenyl)-7,7-dimethyl-1-(2-morpholin-4-ylethyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione, 2-(4-METHOXYPHENYL)-7,7-DIMETHYL-1-(2-MORPHOLINOETHYL)-1,5,7,8-TETRAHYDRO-4H-PYRANO[4,3-D]PYRIMIDINE-4-THIONE, 2-(4-methoxyphenyl)-7,7-dimethyl-1-(2-morpholinoethyl)-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione
| Molecular Formula | C22H29N3O3S |
|---|---|
| Molecular Weight | 415.19 g/mol |
| LogP | 3.47169 |
| Topological Polar Surface Area | 48.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.19296 |
| Heavy Atoms | 29 |
| Complexity | 918.13513 |
Chemical Identifiers
| CAS Number | 579446-79-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=S)N=C(N2CCN3CCOCC3)C4=CC=C(C=C4)OC)C |
Product Overview
A3695/0156806 (CAS 579446-79-0), with molecular formula C22H29N3O3S and molecular weight 415.19 g/mol. IUPAC: 2-(4-methoxyphenyl)-7,7-dimethyl-1-(2-morpholin-4-ylethyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione.
Chemical Property Profile of A3695/0156806
Property Insights of A3695/0156806
The XLogP value of 3.47169 indicates that A3695/0156806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.75 Ų, A3695/0156806 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3695/0156806 has 0 hydrogen bond donor(s) and 6 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 A3695/0156806?
The CAS number of A3695/0156806 is 579446-79-0.
What is the molecular formula of A3695/0156806?
The molecular formula of A3695/0156806 is C22H29N3O3S.
What is the molecular weight of A3695/0156806?
The molecular weight of A3695/0156806 is 415.19 g/mol.
Where can I buy A3695/0156806?
You can request a quote for A3695/0156806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3695/0156806?
Yes, KEHONG BIO provides custom synthesis services for A3695/0156806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.