![dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) structure](/static/products/395/395061-77-5.png)
dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)
TL;DR: dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) (CAS 395061-77-5) is a chemical compound with molecular formula C24H23N3O6S2 and molecular weight 513.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate), dimethyl 5,5'-[6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diylbis(sulfanediylmethanediyl)]difuran-2-carboxylate, METHYL 5-({[2-({[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL}SULFANYL)-5H,6H,7H,8H,9H-PYRIMIDO[4,5-B]INDOL-4-YL]SULFANYL}METHYL)FURAN-2-CARBOXYLATE, methyl 5-[[2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C24H23N3O6S2 |
|---|---|
| Molecular Weight | 513.10 g/mol |
| LogP | 5.1805 |
| Topological Polar Surface Area | 120.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.10284 |
| Heavy Atoms | 35 |
| Complexity | 1389.3221 |
Chemical Identifiers
| CAS Number | 395061-77-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC(=NC3=C2C4=C(N3)CCCC4)SCC5=CC=C(O5)C(=O)OC |
Product Overview
dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) (CAS 395061-77-5), with molecular formula C24H23N3O6S2 and molecular weight 513.10 g/mol. IUPAC: methyl 5-[[2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)
Property Insights of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)
The XLogP value of 5.1805 indicates that dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.45 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate). Following Lipinski's Rule of Five, dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)?
The CAS number of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) is 395061-77-5.
What is the molecular formula of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)?
The molecular formula of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) is C24H23N3O6S2.
What is the molecular weight of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)?
The molecular weight of dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) is 513.10 g/mol.
Where can I buy dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)?
You can request a quote for dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5,5'-(((6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-2,4-diyl)bis(sulfanediyl))bis(methylene))bis(furan-2-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.