AB00321681-02
TL;DR: AB00321681-02 (CAS 475115-47-0) is a chemical compound with molecular formula C18H13ClN4OS and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-13-(2-chlorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
Also Known As: AB00321681-02, AS-871/41828136, 2-amino-9-(2-chlorophenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydropyrido[2',3':4,5]thieno[2,3-b]pyridine-3-carbonitrile, 2-amino-9-(2-chlorophenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile, 2-amino-9-(2-chlorophenyl)-7-hydroxy-4-methyl-8,9-dihydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
| Molecular Formula | C18H13ClN4OS |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 4.1861 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.04987 |
| Heavy Atoms | 25 |
| Complexity | 1082.8501 |
Chemical Identifiers
| CAS Number | 475115-47-0 |
|---|---|
| SMILES | CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC=CC=C4Cl)N)C#N |
Product Overview
AB00321681-02 (CAS 475115-47-0), with molecular formula C18H13ClN4OS and molecular weight 368.05 g/mol. IUPAC: 4-amino-13-(2-chlorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile.
Chemical Property Profile of AB00321681-02
Property Insights of AB00321681-02
The XLogP value of 4.1861 indicates that AB00321681-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00321681-02. Following Lipinski's Rule of Five, AB00321681-02 has 2 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 AB00321681-02?
The CAS number of AB00321681-02 is 475115-47-0.
What is the molecular formula of AB00321681-02?
The molecular formula of AB00321681-02 is C18H13ClN4OS.
What is the molecular weight of AB00321681-02?
The molecular weight of AB00321681-02 is 368.05 g/mol.
Where can I buy AB00321681-02?
You can request a quote for AB00321681-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00321681-02?
Yes, KEHONG BIO provides custom synthesis services for AB00321681-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.