starbld0044949
TL;DR: starbld0044949 (CAS 473705-46-3) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate
Also Known As: starbld0044949, BAS 01836654, J1.758.647E, ethyl 2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate, ethyl 2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 1.4933 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 577.29236 |
Chemical Identifiers
| CAS Number | 473705-46-3 |
|---|---|
| SMILES | CCOC(=O)C1C2C3=CC=CC=C3OC1(NC(=S)N2)C |
Product Overview
starbld0044949 (CAS 473705-46-3), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: ethyl 9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate.
Chemical Property Profile of starbld0044949
Property Insights of starbld0044949
The XLogP value of 1.4933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0044949. With a topological polar surface area (TPSA) of 59.59 Ų, starbld0044949 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, starbld0044949 has 2 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 starbld0044949?
The CAS number of starbld0044949 is 473705-46-3.
What is the molecular formula of starbld0044949?
The molecular formula of starbld0044949 is C14H16N2O3S.
What is the molecular weight of starbld0044949?
The molecular weight of starbld0044949 is 292.09 g/mol.
Where can I buy starbld0044949?
You can request a quote for starbld0044949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0044949?
Yes, KEHONG BIO provides custom synthesis services for starbld0044949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.