cis-BBD
TL;DR: cis-BBD (CAS 170210-46-5) is a chemical compound with molecular formula C18H15BrCl2O4 and molecular weight 443.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4S)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
Also Known As: cis-BBD, EINECS 262-765-9, BAS 00665648, Ketoconazole Impurity 39; Itraconazole Impurity 2, ((2S,4S)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate
| Molecular Formula | C18H15BrCl2O4 |
|---|---|
| Molecular Weight | 443.95 g/mol |
| LogP | 4.8135 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.9531 |
| Heavy Atoms | 25 |
| Complexity | 755.9962 |
Chemical Identifiers
| CAS Number | 170210-46-5 |
|---|---|
| SMILES | C1[C@H](O[C@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3 |
Product Overview
cis-BBD (CAS 170210-46-5), with molecular formula C18H15BrCl2O4 and molecular weight 443.95 g/mol. IUPAC: [(2S,4S)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate.
Chemical Property Profile of cis-BBD
Property Insights of cis-BBD
The XLogP value of 4.8135 indicates that cis-BBD is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, cis-BBD exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-BBD has 0 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 cis-BBD?
The CAS number of cis-BBD is 170210-46-5.
What is the molecular formula of cis-BBD?
The molecular formula of cis-BBD is C18H15BrCl2O4.
What is the molecular weight of cis-BBD?
The molecular weight of cis-BBD is 443.95 g/mol.
Where can I buy cis-BBD?
You can request a quote for cis-BBD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-BBD?
Yes, KEHONG BIO provides custom synthesis services for cis-BBD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.