RefChem:487937
TL;DR: RefChem:487937 (CAS 790271-09-9) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid
Also Known As: 3-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]propanoic acid, 3-{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio}propanoic acid, 3-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]propanoic acid, 3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid, 3-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acid
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 2.5713 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 735.6297 |
Chemical Identifiers
| CAS Number | 790271-09-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSCCC(=O)O |
Product Overview
RefChem:487937 (CAS 790271-09-9), with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol. IUPAC: 3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid.
Chemical Property Profile of RefChem:487937
Property Insights of RefChem:487937
The XLogP value of 2.5713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:487937. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:487937. Following Lipinski's Rule of Five, RefChem:487937 has 2 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 RefChem:487937?
The CAS number of RefChem:487937 is 790271-09-9.
What is the molecular formula of RefChem:487937?
The molecular formula of RefChem:487937 is C14H16N2O3S2.
What is the molecular weight of RefChem:487937?
The molecular weight of RefChem:487937 is 324.06 g/mol.
Where can I buy RefChem:487937?
You can request a quote for RefChem:487937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:487937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:487937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.