AS-871/42850431
TL;DR: AS-871/42850431 (CAS 690642-05-8) is a chemical compound with molecular formula C23H31N3O3S and molecular weight 429.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,6-dimethyl-3-(3-morpholin-4-ylpropyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(4-methoxyphenyl)methanone
Also Known As: AS-871/42850431, F1654-0526, (5,6-dimethyl-3-(3-morpholinopropyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl)(4-methoxyphenyl)methanone, [5,6-dimethyl-3-(3-morpholin-4-ylpropyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(4-methoxyphenyl)methanone, 4-{3-[1-(4-methoxybenzoyl)-5,6-dimethyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-3-yl]propyl}morpholine
| Molecular Formula | C23H31N3O3S |
|---|---|
| Molecular Weight | 429.21 g/mol |
| LogP | 3.51574 |
| Topological Polar Surface Area | 45.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.20862 |
| Heavy Atoms | 30 |
| Complexity | 874.56366 |
Chemical Identifiers
| CAS Number | 690642-05-8 |
|---|---|
| SMILES | CC1=C(SC2=C1CN(CN2C(=O)C3=CC=C(C=C3)OC)CCCN4CCOCC4)C |
Product Overview
AS-871/42850431 (CAS 690642-05-8), with molecular formula C23H31N3O3S and molecular weight 429.21 g/mol. IUPAC: [5,6-dimethyl-3-(3-morpholin-4-ylpropyl)-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl]-(4-methoxyphenyl)methanone.
Chemical Property Profile of AS-871/42850431
Property Insights of AS-871/42850431
The XLogP value of 3.51574 indicates that AS-871/42850431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.25 Ų, AS-871/42850431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42850431 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 AS-871/42850431?
The CAS number of AS-871/42850431 is 690642-05-8.
What is the molecular formula of AS-871/42850431?
The molecular formula of AS-871/42850431 is C23H31N3O3S.
What is the molecular weight of AS-871/42850431?
The molecular weight of AS-871/42850431 is 429.21 g/mol.
Where can I buy AS-871/42850431?
You can request a quote for AS-871/42850431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42850431?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42850431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.