AN-512/12673291
TL;DR: AN-512/12673291 (CAS 351440-93-2) is a chemical compound with molecular formula C21H28N2O3S2 and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
Also Known As: AN-512/12673291, pentyl {[3-(2-methyl-2-propenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, pentyl {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, pentyl 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate, pentyl 2-((3-(2-methylallyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C21H28N2O3S2 |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 4.7384 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.15414 |
| Heavy Atoms | 28 |
| Complexity | 929.8541 |
Chemical Identifiers
| CAS Number | 351440-93-2 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC(=C)C |
Product Overview
AN-512/12673291 (CAS 351440-93-2), with molecular formula C21H28N2O3S2 and molecular weight 420.15 g/mol. IUPAC: pentyl 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate.
Chemical Property Profile of AN-512/12673291
Property Insights of AN-512/12673291
The XLogP value of 4.7384 indicates that AN-512/12673291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12673291. Following Lipinski's Rule of Five, AN-512/12673291 has 0 hydrogen bond donor(s) and 6 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-512/12673291?
The CAS number of AN-512/12673291 is 351440-93-2.
What is the molecular formula of AN-512/12673291?
The molecular formula of AN-512/12673291 is C21H28N2O3S2.
What is the molecular weight of AN-512/12673291?
The molecular weight of AN-512/12673291 is 420.15 g/mol.
Where can I buy AN-512/12673291?
You can request a quote for AN-512/12673291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673291?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.