![4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide structure](/static/products/4780/478029-92-4.webp)
4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide
TL;DR: 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide (CAS 478029-92-4) is a chemical compound with molecular formula C22H21N3OS2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]morpholine
Also Known As: 2R-1322, 4-methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide, 4-[2-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]morpholine, 4-{[(4-methylphenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C22H21N3OS2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 5.28182 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1126 |
| Heavy Atoms | 28 |
| Complexity | 1118.0024 |
Chemical Identifiers
| CAS Number | 478029-92-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N4CCOCC4)SC5=CC=CC=C53 |
Product Overview
4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide (CAS 478029-92-4), with molecular formula C22H21N3OS2 and molecular weight 407.11 g/mol. IUPAC: 4-[2-[(4-methylphenyl)methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]morpholine.
Chemical Property Profile of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide
Property Insights of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide
The XLogP value of 5.28182 indicates that 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide has 0 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 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
The CAS number of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is 478029-92-4.
What is the molecular formula of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
The molecular formula of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is C22H21N3OS2.
What is the molecular weight of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
The molecular weight of 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide is 407.11 g/mol.
Where can I buy 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
You can request a quote for 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzyl 4-morpholino[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.