![9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one structure](/static/products/3804/380453-79-2.webp)
9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
TL;DR: 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one (CAS 380453-79-2) is a chemical compound with molecular formula C23H17ClN4O2S and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-chlorophenyl)-8-morpholin-4-yl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
Also Known As: 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, AF-399/40851263, 13-(4-chlorophenyl)-8-morpholin-4-yl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one, 13-(4-chlorophenyl)-8-(morpholin-4-yl)-15-thia-9,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),2(7),3,5,8,12(16),13-heptaen-11-one, 9-(4-chlorophenyl)-5-morpholin-4-yl-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]p yrimidin-8-one
| Molecular Formula | C23H17ClN4O2S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.6144 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.07608 |
| Heavy Atoms | 31 |
| Complexity | 1504.1779 |
Chemical Identifiers
| CAS Number | 380453-79-2 |
|---|---|
| SMILES | C1COCCN1C2=NN3C(=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl)C6=CC=CC=C62 |
Product Overview
9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one (CAS 380453-79-2), with molecular formula C23H17ClN4O2S and molecular weight 448.08 g/mol. IUPAC: 13-(4-chlorophenyl)-8-morpholin-4-yl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one.
Chemical Property Profile of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
Property Insights of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
The XLogP value of 4.6144 indicates that 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.73 Ų, 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one 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 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one?
The CAS number of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one is 380453-79-2.
What is the molecular formula of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one?
The molecular formula of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one is C23H17ClN4O2S.
What is the molecular weight of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one?
The molecular weight of 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one is 448.08 g/mol.
Where can I buy 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one?
You can request a quote for 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-chlorophenyl)-5-(4-morpholinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.