AN-512/12674202
TL;DR: AN-512/12674202 (CAS 351440-90-9) is a chemical compound with molecular formula C24H18Cl2N4OS2 and molecular weight 512.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-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-512/12674202, 1-[(3,4-dichlorobenzyl)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-((3,4-dichlorobenzyl)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-[(3,4-Dichlorophenyl)methylsulfanyl]-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 | C24H18Cl2N4OS2 |
|---|---|
| Molecular Weight | 512.03 g/mol |
| LogP | 6.5728 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.0299 |
| Heavy Atoms | 33 |
| Complexity | 1572.9877 |
Chemical Identifiers
| CAS Number | 351440-90-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC5=CC(=C(C=C5)Cl)Cl)N(C3=O)C6=CC=CC=C6 |
Product Overview
AN-512/12674202 (CAS 351440-90-9), with molecular formula C24H18Cl2N4OS2 and molecular weight 512.03 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-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-512/12674202
Property Insights of AN-512/12674202
The XLogP value of 6.5728 indicates that AN-512/12674202 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AN-512/12674202 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12674202 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-512/12674202?
The CAS number of AN-512/12674202 is 351440-90-9.
What is the molecular formula of AN-512/12674202?
The molecular formula of AN-512/12674202 is C24H18Cl2N4OS2.
What is the molecular weight of AN-512/12674202?
The molecular weight of AN-512/12674202 is 512.03 g/mol.
Where can I buy AN-512/12674202?
You can request a quote for AN-512/12674202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12674202?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12674202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.