![Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate structure](/static/products/3611/361172-86-3.webp)
Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate
TL;DR: Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate (CAS 361172-86-3) is a chemical compound with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-ylcarbamoyl)benzoate
Also Known As: AB00138596-02, methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate, F0779-0479, methyl 4-({5-thia-3-azatetracyclo[6.6.1.0^{2,6}.0^{11,15}]pentadeca-1(15),2(6),3,7,11,13-hexaen-4-yl}carbamoyl)benzoate, methyl 4-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-ylcarbamoyl)benzoate
| Molecular Formula | C22H16N2O3S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 4.587 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.08817 |
| Heavy Atoms | 28 |
| Complexity | 1258.4979 |
Chemical Identifiers
| CAS Number | 361172-86-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C4CCC5=C4C3=CC=C5 |
Product Overview
Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate (CAS 361172-86-3), with molecular formula C22H16N2O3S and molecular weight 388.09 g/mol. IUPAC: methyl 4-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-ylcarbamoyl)benzoate.
Chemical Property Profile of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate
Property Insights of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate
The XLogP value of 4.587 indicates that Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate 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 Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate?
The CAS number of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate is 361172-86-3.
What is the molecular formula of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate?
The molecular formula of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate is C22H16N2O3S.
What is the molecular weight of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate?
The molecular weight of Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate is 388.09 g/mol.
Where can I buy Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate?
You can request a quote for Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.