AN-512/12673386
TL;DR: AN-512/12673386 (CAS 353762-79-5) is a chemical compound with molecular formula C24H28N2O2S2 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dimethylphenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: AN-512/12673386, 2-[(2,4-dimethylbenzyl)sulfanyl]-6,6-dimethyl-3-(2-methyl-2-propenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 2-[(2,4-dimethylbenzyl)sulfanyl]-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 5-[(2,4-Dimethylphenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one, 2-((2,4-dimethylbenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C24H28N2O2S2 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 5.79454 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1592 |
| Heavy Atoms | 30 |
| Complexity | 1204.1168 |
Chemical Identifiers
| CAS Number | 353762-79-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2CC(=C)C)C |
Product Overview
AN-512/12673386 (CAS 353762-79-5), with molecular formula C24H28N2O2S2 and molecular weight 440.16 g/mol. IUPAC: 5-[(2,4-dimethylphenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AN-512/12673386
Property Insights of AN-512/12673386
The XLogP value of 5.79454 indicates that AN-512/12673386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, AN-512/12673386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12673386 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-512/12673386?
The CAS number of AN-512/12673386 is 353762-79-5.
What is the molecular formula of AN-512/12673386?
The molecular formula of AN-512/12673386 is C24H28N2O2S2.
What is the molecular weight of AN-512/12673386?
The molecular weight of AN-512/12673386 is 440.16 g/mol.
Where can I buy AN-512/12673386?
You can request a quote for AN-512/12673386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673386?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.