C23H27ClN4O2S
TL;DR: C23H27ClN4O2S (CAS 898608-47-4) is a chemical compound with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 3-(3-chlorophenyl)-2-((2-morpholinoethyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(3-chlorophenyl)-2-{[2-(morpholin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H27ClN4O2S |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 4.1136 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.15433 |
| Heavy Atoms | 31 |
| Complexity | 1136.5422 |
Chemical Identifiers
| CAS Number | 898608-47-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)NCCN4CCOCC4)C5=CC(=CC=C5)Cl |
Product Overview
C23H27ClN4O2S (CAS 898608-47-4), with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol. IUPAC: 4-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of C23H27ClN4O2S
Property Insights of C23H27ClN4O2S
The XLogP value of 4.1136 indicates that C23H27ClN4O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, C23H27ClN4O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H27ClN4O2S has 1 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 C23H27ClN4O2S?
The CAS number of C23H27ClN4O2S is 898608-47-4.
What is the molecular formula of C23H27ClN4O2S?
The molecular formula of C23H27ClN4O2S is C23H27ClN4O2S.
What is the molecular weight of C23H27ClN4O2S?
The molecular weight of C23H27ClN4O2S is 458.15 g/mol.
Where can I buy C23H27ClN4O2S?
You can request a quote for C23H27ClN4O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H27ClN4O2S?
Yes, KEHONG BIO provides custom synthesis services for C23H27ClN4O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.