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methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate
TL;DR: methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate (CAS 438574-73-3) is a chemical compound with molecular formula C16H11N3O2S and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate
Also Known As: VU0512525-1, F3168-1696, methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate, methyl 6-thioxo-5,6-dihydrobenzimidazo[1,2-c]quinazoline-3-carboxylate, methyl 9-sulfanylidene-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,11(16),12,14-heptaene-5-carboxylate
| Molecular Formula | C16H11N3O2S |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 3.48489 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.0572 |
| Heavy Atoms | 22 |
| Complexity | 1110.9304 |
Chemical Identifiers
| CAS Number | 438574-73-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2 |
Product Overview
methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate (CAS 438574-73-3), with molecular formula C16H11N3O2S and molecular weight 309.06 g/mol. IUPAC: methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate.
Chemical Property Profile of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate
Property Insights of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate
The XLogP value of 3.48489 indicates that methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate?
The CAS number of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate is 438574-73-3.
What is the molecular formula of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate?
The molecular formula of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate is C16H11N3O2S.
What is the molecular weight of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate?
The molecular weight of methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate is 309.06 g/mol.
Where can I buy methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate?
You can request a quote for methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.