Lilac aldehyde B
TL;DR: Lilac aldehyde B (CAS 53447-45-3) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
Also Known As: Lilac aldehyde B, (2S,2'S,5'S)-Lilac aldehyde, Lilac aldehyde, (2S,2'S,5'S)-, Lilac aldehyde (isomer II), FEMA no. 4058, (2S,2'S,5'S)-
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 53447-45-3 |
|---|---|
| SMILES | C[C@H](C=O)[C@@H]1CC[C@@](O1)(C)C=C |
| InChIKey | YPZQHCLBLRWNMJ-KXUCPTDWSA-N |
Product Overview
Lilac aldehyde B (CAS 53447-45-3), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: (2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal.
Chemical Property Profile of Lilac aldehyde B
Property Insights of Lilac aldehyde B
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lilac aldehyde B. With a topological polar surface area (TPSA) of 26.3 Ų, Lilac aldehyde B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lilac aldehyde B has 0 hydrogen bond donor(s) and 2 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 Lilac aldehyde B?
The CAS number of Lilac aldehyde B is 53447-45-3.
What is the molecular formula of Lilac aldehyde B?
The molecular formula of Lilac aldehyde B is C10H16O2.
What is the molecular weight of Lilac aldehyde B?
The molecular weight of Lilac aldehyde B is 168.12 g/mol.
Where can I buy Lilac aldehyde B?
You can request a quote for Lilac aldehyde B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lilac aldehyde B?
Yes, KEHONG BIO provides custom synthesis services for Lilac aldehyde B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.