AN-038/12879001
TL;DR: AN-038/12879001 (CAS 327170-48-9) is a chemical compound with molecular formula C25H19ClN4O2S2 and molecular weight 506.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: AN-038/12879001, 1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 3-[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
| Molecular Formula | C25H19ClN4O2S2 |
|---|---|
| Molecular Weight | 506.06 g/mol |
| LogP | 5.6021 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.06378 |
| Heavy Atoms | 34 |
| Complexity | 1604.0593 |
Chemical Identifiers
| CAS Number | 327170-48-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)N(C3=O)C6=CC=CC=C6 |
Product Overview
AN-038/12879001 (CAS 327170-48-9), with molecular formula C25H19ClN4O2S2 and molecular weight 506.06 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of AN-038/12879001
Property Insights of AN-038/12879001
The XLogP value of 5.6021 indicates that AN-038/12879001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-038/12879001. Following Lipinski's Rule of Five, AN-038/12879001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-038/12879001?
The CAS number of AN-038/12879001 is 327170-48-9.
What is the molecular formula of AN-038/12879001?
The molecular formula of AN-038/12879001 is C25H19ClN4O2S2.
What is the molecular weight of AN-038/12879001?
The molecular weight of AN-038/12879001 is 506.06 g/mol.
Where can I buy AN-038/12879001?
You can request a quote for AN-038/12879001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-038/12879001?
Yes, KEHONG BIO provides custom synthesis services for AN-038/12879001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.