C25H31N3O3S
TL;DR: C25H31N3O3S (CAS 896852-74-7) is a chemical compound with molecular formula C25H31N3O3S and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-morpholin-4-ylethyl)-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 1-(2-morpholinoethyl)-3-phenethyl-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 1-[2-(morpholin-4-yl)ethyl]-3-(2-phenylethyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C25H31N3O3S |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 3.0685 |
| Topological Polar Surface Area | 56.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.20862 |
| Heavy Atoms | 32 |
| Complexity | 1189.093 |
Chemical Identifiers
| CAS Number | 896852-74-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CCN4CCOCC4)CCC5=CC=CC=C5 |
Product Overview
C25H31N3O3S (CAS 896852-74-7), with molecular formula C25H31N3O3S and molecular weight 453.21 g/mol. IUPAC: 6-(2-morpholin-4-ylethyl)-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of C25H31N3O3S
Property Insights of C25H31N3O3S
The XLogP value of 3.0685 indicates that C25H31N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.47 Ų, C25H31N3O3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H31N3O3S has 0 hydrogen bond donor(s) and 5 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 C25H31N3O3S?
The CAS number of C25H31N3O3S is 896852-74-7.
What is the molecular formula of C25H31N3O3S?
The molecular formula of C25H31N3O3S is C25H31N3O3S.
What is the molecular weight of C25H31N3O3S?
The molecular weight of C25H31N3O3S is 453.21 g/mol.
Where can I buy C25H31N3O3S?
You can request a quote for C25H31N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H31N3O3S?
Yes, KEHONG BIO provides custom synthesis services for C25H31N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.