BAS 00104291
TL;DR: BAS 00104291 (CAS 167780-45-2) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene
Also Known As: BAS 00104291, 7-Methyl-2,3,6,7,8,9,11,12-octahydro-5H-1,4,10,13,7-benzotetraoxazacyclopentadecine, 10-Methyl-2,3-benzo-1,4,7,13-tetraoxa-10-azacyclopentadec-2-ene, 2,3-Benzo-10-methyl-1,4,7,13-tetraoxa-10-azacyclopentadecane, 7-methyl-3,5,6,7,8,9,11,12-octahydro-2H-1,4,10,13,7-benzotetraoxazacyclopentadecine
| Molecular Formula | C15H23NO4 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.16272 |
| Heavy Atoms | 20 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 167780-45-2 |
|---|---|
| SMILES | CN1CCOCCOC2=CC=CC=C2OCCOCC1 |
| InChIKey | KWGIEMFOSHVZCN-UHFFFAOYSA-N |
Product Overview
BAS 00104291 (CAS 167780-45-2), with molecular formula C15H23NO4 and molecular weight 281.16 g/mol. IUPAC: 8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene.
Chemical Property Profile of BAS 00104291
Property Insights of BAS 00104291
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00104291. With a topological polar surface area (TPSA) of 40.2 Ų, BAS 00104291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00104291 has 0 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 BAS 00104291?
The CAS number of BAS 00104291 is 167780-45-2.
What is the molecular formula of BAS 00104291?
The molecular formula of BAS 00104291 is C15H23NO4.
What is the molecular weight of BAS 00104291?
The molecular weight of BAS 00104291 is 281.16 g/mol.
Where can I buy BAS 00104291?
You can request a quote for BAS 00104291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00104291?
Yes, KEHONG BIO provides custom synthesis services for BAS 00104291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.