ChemDiv1_010802
TL;DR: ChemDiv1_010802 (CAS 331839-03-3) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-11,12-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene-10,13-dione
Also Known As: ChemDiv1_010802, 2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-2,3-dihydronaphtho[1,8-de][1,2]diazepine-1,4-dione, 2-(5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-2,3-dihydronaphtho[1,8-de][1,2]diazepine-1,4-dione
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 4.0285 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1338.406 |
Chemical Identifiers
| CAS Number | 331839-03-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)N4 |
Product Overview
ChemDiv1_010802 (CAS 331839-03-3), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: 11-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-11,12-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene-10,13-dione.
Chemical Property Profile of ChemDiv1_010802
Property Insights of ChemDiv1_010802
The XLogP value of 4.0285 indicates that ChemDiv1_010802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010802. Following Lipinski's Rule of Five, ChemDiv1_010802 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_010802?
The CAS number of ChemDiv1_010802 is 331839-03-3.
What is the molecular formula of ChemDiv1_010802?
The molecular formula of ChemDiv1_010802 is C22H16N4O2S.
What is the molecular weight of ChemDiv1_010802?
The molecular weight of ChemDiv1_010802 is 400.10 g/mol.
Where can I buy ChemDiv1_010802?
You can request a quote for ChemDiv1_010802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010802?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.