![2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid structure](/static/products/372/372973-15-4.png)
2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid
TL;DR: 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid (CAS 372973-15-4) is a chemical compound with molecular formula C14H15N3O4S2 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid
Also Known As: 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid, 2,2'-((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))diacetic acid, 2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid
| Molecular Formula | C14H15N3O4S2 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.1901 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.05038 |
| Heavy Atoms | 23 |
| Complexity | 774.95844 |
Chemical Identifiers
| CAS Number | 372973-15-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N2)N=C(N=C3SCC(=O)O)SCC(=O)O |
Product Overview
2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid (CAS 372973-15-4), with molecular formula C14H15N3O4S2 and molecular weight 353.05 g/mol. IUPAC: 2-[[2-(carboxymethylsulfanyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid
Property Insights of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid
The XLogP value of 2.1901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid. Following Lipinski's Rule of Five, 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid has 3 hydrogen bond donor(s) and 6 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 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid?
The CAS number of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid is 372973-15-4.
What is the molecular formula of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid?
The molecular formula of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid is C14H15N3O4S2.
What is the molecular weight of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid?
The molecular weight of 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid is 353.05 g/mol.
Where can I buy 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid?
You can request a quote for 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyldisulfanediyl)diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.