BAS 00135018
TL;DR: BAS 00135018 (CAS 108695-55-2) is a chemical compound with molecular formula C16H22Br2O6 and molecular weight 467.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20,21-dibromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
Also Known As: BAS 00135018, J2.172.272C, 20,21-Dibromo-2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadecane, 1,4,7,10,13,16-Benzohexaoxacyclooctadecin, 18,19-dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-, 18,19-Dibromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine
| Molecular Formula | C16H22Br2O6 |
|---|---|
| Molecular Weight | 467.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 467.9783 |
| Heavy Atoms | 24 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 108695-55-2 |
|---|---|
| SMILES | C1COCCOCCOC2=CC(=C(C=C2OCCOCCO1)Br)Br |
| InChIKey | LMBHRNOMDYJMDL-UHFFFAOYSA-N |
Product Overview
BAS 00135018 (CAS 108695-55-2), with molecular formula C16H22Br2O6 and molecular weight 467.98 g/mol. IUPAC: 20,21-dibromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene.
Chemical Property Profile of BAS 00135018
Property Insights of BAS 00135018
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00135018. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00135018 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00135018 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 BAS 00135018?
The CAS number of BAS 00135018 is 108695-55-2.
What is the molecular formula of BAS 00135018?
The molecular formula of BAS 00135018 is C16H22Br2O6.
What is the molecular weight of BAS 00135018?
The molecular weight of BAS 00135018 is 467.98 g/mol.
Where can I buy BAS 00135018?
You can request a quote for BAS 00135018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00135018?
Yes, KEHONG BIO provides custom synthesis services for BAS 00135018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.