F1105-0435
TL;DR: F1105-0435 (CAS 683238-19-9) is a chemical compound with molecular formula C18H16N2O5S2 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
Also Known As: F1105-0435, (Z)-methyl 4-((3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)carbamoyl)benzoate, methyl 4-{[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzoate, methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate, Methyl 4-[(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)carbamoyl]benzoate
| Molecular Formula | C18H16N2O5S2 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 2.171 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.05005 |
| Heavy Atoms | 27 |
| Complexity | 1218.8656 |
Chemical Identifiers
| CAS Number | 683238-19-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
F1105-0435 (CAS 683238-19-9), with molecular formula C18H16N2O5S2 and molecular weight 404.05 g/mol. IUPAC: methyl 4-[(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.
Chemical Property Profile of F1105-0435
Property Insights of F1105-0435
The XLogP value of 2.171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1105-0435. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for F1105-0435. Following Lipinski's Rule of Five, F1105-0435 has 0 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 F1105-0435?
The CAS number of F1105-0435 is 683238-19-9.
What is the molecular formula of F1105-0435?
The molecular formula of F1105-0435 is C18H16N2O5S2.
What is the molecular weight of F1105-0435?
The molecular weight of F1105-0435 is 404.05 g/mol.
Where can I buy F1105-0435?
You can request a quote for F1105-0435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1105-0435?
Yes, KEHONG BIO provides custom synthesis services for F1105-0435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.