AN-512/12673296
TL;DR: AN-512/12673296 (CAS 353762-65-9) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-13,13-dimethyl-5-prop-2-enylsulfanyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: AN-512/12673296, 2-(allylsulfanyl)-3-benzyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 2-(allylthio)-3-benzyl-8,8-dimethyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 3-benzyl-8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 3.9692 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1090.3724 |
Chemical Identifiers
| CAS Number | 353762-65-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4)C |
Product Overview
AN-512/12673296 (CAS 353762-65-9), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 6-benzyl-13,13-dimethyl-5-prop-2-enylsulfanyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of AN-512/12673296
Property Insights of AN-512/12673296
The XLogP value of 3.9692 indicates that AN-512/12673296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, AN-512/12673296 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12673296 has 0 hydrogen bond donor(s) and 5 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-512/12673296?
The CAS number of AN-512/12673296 is 353762-65-9.
What is the molecular formula of AN-512/12673296?
The molecular formula of AN-512/12673296 is C22H23N3O2S.
What is the molecular weight of AN-512/12673296?
The molecular weight of AN-512/12673296 is 393.15 g/mol.
Where can I buy AN-512/12673296?
You can request a quote for AN-512/12673296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12673296?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12673296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.