AN-512/12674244
TL;DR: AN-512/12674244 (CAS 353763-00-5) is a chemical compound with molecular formula C20H18Cl2N2OS2 and molecular weight 436.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AN-512/12674244, 3-allyl-2-[(3,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3,4-dichlorophenyl)methylthio]-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]t hiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H18Cl2N2OS2 |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 6.1219 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.02377 |
| Heavy Atoms | 27 |
| Complexity | 1087.7557 |
Chemical Identifiers
| CAS Number | 353763-00-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CCCC4 |
Product Overview
AN-512/12674244 (CAS 353763-00-5), with molecular formula C20H18Cl2N2OS2 and molecular weight 436.02 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AN-512/12674244
Property Insights of AN-512/12674244
The XLogP value of 6.1219 indicates that AN-512/12674244 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-512/12674244 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-512/12674244 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-512/12674244?
The CAS number of AN-512/12674244 is 353763-00-5.
What is the molecular formula of AN-512/12674244?
The molecular formula of AN-512/12674244 is C20H18Cl2N2OS2.
What is the molecular weight of AN-512/12674244?
The molecular weight of AN-512/12674244 is 436.02 g/mol.
Where can I buy AN-512/12674244?
You can request a quote for AN-512/12674244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12674244?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12674244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.