AN-512/12673371
TL;DR: AN-512/12673371 (CAS 353762-75-1) is a chemical compound with molecular formula C21H20Cl2N2OS2 and molecular weight 450.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AN-512/12673371, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(2-methyl-2-propenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-((3,4-dichlorobenzyl)thio)-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H20Cl2N2OS2 |
|---|---|
| Molecular Weight | 450.04 g/mol |
| LogP | 6.512 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0394 |
| Heavy Atoms | 28 |
| Complexity | 1133.6165 |
Chemical Identifiers
| CAS Number | 353762-75-1 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CCCC4 |
Product Overview
AN-512/12673371 (CAS 353762-75-1), with molecular formula C21H20Cl2N2OS2 and molecular weight 450.04 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AN-512/12673371
Property Insights of AN-512/12673371
The XLogP value of 6.512 indicates that AN-512/12673371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, AN-512/12673371 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12673371 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-512/12673371?
The CAS number of AN-512/12673371 is 353762-75-1.
What is the molecular formula of AN-512/12673371?
The molecular formula of AN-512/12673371 is C21H20Cl2N2OS2.
What is the molecular weight of AN-512/12673371?
The molecular weight of AN-512/12673371 is 450.04 g/mol.
Where can I buy AN-512/12673371?
You can request a quote for AN-512/12673371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673371?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.