ChemDiv2_003198
TL;DR: ChemDiv2_003198 (CAS 81136-49-4) is a chemical compound with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-2H-phthalazine-1,4-dione
Also Known As: ChemDiv2_003198, BAS 00344880, A0514/0023789, 2-(5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YL)-2,3-DIHYDRO-1,4-PHTHALAZINEDIONE, 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-2H-phthalazine-1,4-dione
| Molecular Formula | C18H14N4O2S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.5625 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.08374 |
| Heavy Atoms | 25 |
| Complexity | 1251.6298 |
Chemical Identifiers
| CAS Number | 81136-49-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C(=O)C5=CC=CC=C5C(=O)N4 |
Product Overview
ChemDiv2_003198 (CAS 81136-49-4), with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol. IUPAC: 3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-2H-phthalazine-1,4-dione.
Chemical Property Profile of ChemDiv2_003198
Property Insights of ChemDiv2_003198
The XLogP value of 2.5625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003198. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003198. Following Lipinski's Rule of Five, ChemDiv2_003198 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 ChemDiv2_003198?
The CAS number of ChemDiv2_003198 is 81136-49-4.
What is the molecular formula of ChemDiv2_003198?
The molecular formula of ChemDiv2_003198 is C18H14N4O2S.
What is the molecular weight of ChemDiv2_003198?
The molecular weight of ChemDiv2_003198 is 350.08 g/mol.
Where can I buy ChemDiv2_003198?
You can request a quote for ChemDiv2_003198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003198?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.