ChemDiv1_006307
TL;DR: ChemDiv1_006307 (CAS 351005-70-4) is a chemical compound with molecular formula C23H21N3O2S2 and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-4-(4-methoxyphenyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: ChemDiv1_006307, BIM-0015968.P001, BIM-0017987.P001, AJ-292/13049052, 7-benzyl-3-(4-methoxyphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H21N3O2S2 |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 4.67669 |
| Topological Polar Surface Area | 50.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1075 |
| Heavy Atoms | 30 |
| Complexity | 1321.0648 |
Chemical Identifiers
| CAS Number | 351005-70-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCN(C4)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_006307 (CAS 351005-70-4), with molecular formula C23H21N3O2S2 and molecular weight 435.11 g/mol. IUPAC: 11-benzyl-4-(4-methoxyphenyl)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of ChemDiv1_006307
Property Insights of ChemDiv1_006307
The XLogP value of 4.67669 indicates that ChemDiv1_006307 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.26 Ų, ChemDiv1_006307 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006307 has 1 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 ChemDiv1_006307?
The CAS number of ChemDiv1_006307 is 351005-70-4.
What is the molecular formula of ChemDiv1_006307?
The molecular formula of ChemDiv1_006307 is C23H21N3O2S2.
What is the molecular weight of ChemDiv1_006307?
The molecular weight of ChemDiv1_006307 is 435.11 g/mol.
Where can I buy ChemDiv1_006307?
You can request a quote for ChemDiv1_006307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006307?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.