AN-512/12674213
TL;DR: AN-512/12674213 (CAS 353762-95-5) is a chemical compound with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8-oxo-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetate
Also Known As: AN-512/12674213, methyl [(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetate, methyl 2-((5-oxo-4-phenyl-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate, Methyl 2-[(8-oxo-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetate
| Molecular Formula | C20H18N4O3S2 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 3.2388 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.08203 |
| Heavy Atoms | 29 |
| Complexity | 1290.2847 |
Chemical Identifiers
| CAS Number | 353762-95-5 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
AN-512/12674213 (CAS 353762-95-5), with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol. IUPAC: methyl 2-[(8-oxo-7-phenyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]acetate.
Chemical Property Profile of AN-512/12674213
Property Insights of AN-512/12674213
The XLogP value of 3.2388 indicates that AN-512/12674213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12674213. Following Lipinski's Rule of Five, AN-512/12674213 has 0 hydrogen bond donor(s) and 7 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 AN-512/12674213?
The CAS number of AN-512/12674213 is 353762-95-5.
What is the molecular formula of AN-512/12674213?
The molecular formula of AN-512/12674213 is C20H18N4O3S2.
What is the molecular weight of AN-512/12674213?
The molecular weight of AN-512/12674213 is 426.08 g/mol.
Where can I buy AN-512/12674213?
You can request a quote for AN-512/12674213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12674213?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12674213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.