AB01290742-01
TL;DR: AB01290742-01 (CAS 899398-15-3) 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-(4-chlorophenyl)-11-ethyl-6-(2-pyrrolidin-1-ylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: AB01290742-01, 3-(4-chlorophenyl)-7-ethyl-1-[2-(pyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(4-chlorophenyl)-7-ethyl-1-(2-(pyrrolidin-1-yl)ethyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C23H27ClN4O2S |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.3411 |
| Topological Polar Surface Area | 50.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.15433 |
| Heavy Atoms | 31 |
| Complexity | 1221.5779 |
Chemical Identifiers
| CAS Number | 899398-15-3 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CCN4CCCC4)C5=CC=C(C=C5)Cl |
Product Overview
AB01290742-01 (CAS 899398-15-3), with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol. IUPAC: 4-(4-chlorophenyl)-11-ethyl-6-(2-pyrrolidin-1-ylethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of AB01290742-01
Property Insights of AB01290742-01
The XLogP value of 3.3411 indicates that AB01290742-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.48 Ų, AB01290742-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01290742-01 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 AB01290742-01?
The CAS number of AB01290742-01 is 899398-15-3.
What is the molecular formula of AB01290742-01?
The molecular formula of AB01290742-01 is C23H27ClN4O2S.
What is the molecular weight of AB01290742-01?
The molecular weight of AB01290742-01 is 458.15 g/mol.
Where can I buy AB01290742-01?
You can request a quote for AB01290742-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01290742-01?
Yes, KEHONG BIO provides custom synthesis services for AB01290742-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.