AN-512/12673383
TL;DR: AN-512/12673383 (CAS 353762-77-3) is a chemical compound with molecular formula C23H23BrN2O3S2 and molecular weight 518.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-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-512/12673383, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6,6-dimethyl-3-(2-methylprop-2-enyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one, 2-{[2-(4-bromophenyl)-2-oxoethyl]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-bromophenyl)-2-oxoethyl]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-Bromophenyl)-2-oxoethyl]sulfanyl-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
| Molecular Formula | C23H23BrN2O3S2 |
|---|---|
| Molecular Weight | 518.03 g/mol |
| LogP | 5.6229 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.0333 |
| Heavy Atoms | 31 |
| Complexity | 1242.4254 |
Chemical Identifiers
| CAS Number | 353762-77-3 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Br)SC4=C2CC(OC4)(C)C |
Product Overview
AN-512/12673383 (CAS 353762-77-3), with molecular formula C23H23BrN2O3S2 and molecular weight 518.03 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-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-512/12673383
Property Insights of AN-512/12673383
The XLogP value of 5.6229 indicates that AN-512/12673383 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-512/12673383. Following Lipinski's Rule of Five, AN-512/12673383 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-512/12673383?
The CAS number of AN-512/12673383 is 353762-77-3.
What is the molecular formula of AN-512/12673383?
The molecular formula of AN-512/12673383 is C23H23BrN2O3S2.
What is the molecular weight of AN-512/12673383?
The molecular weight of AN-512/12673383 is 518.03 g/mol.
Where can I buy AN-512/12673383?
You can request a quote for AN-512/12673383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673383?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.