Kylinone
TL;DR: Kylinone (CAS 72036-07-8) is a chemical compound with molecular formula C15H21Br2ClO and molecular weight 409.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,6S,9R,10R)-4,10-dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one
Also Known As: Kylinone, Spiro(5.5)undec-3-en-1-one, 4,8-dibromo-9-chloro-2,5,5,9-tetramethyl-, (2R,6S,8R,9R)-rel-(+)-, 4,8-Dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one, (2R,6S,8R,9R)-4,8-dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one, (2R,6S,9R,10R)-4,10-dibromo-9-chloro-2,5,5,9-tetramethylspiro(5.5)undec-3-en-1-one
| Molecular Formula | C15H21Br2ClO |
|---|---|
| Molecular Weight | 409.96 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.96478 |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 72036-07-8 |
|---|---|
| SMILES | C[C@@H]1C=C(C([C@]2(C1=O)CC[C@@]([C@@H](C2)Br)(C)Cl)(C)C)Br |
| InChIKey | HMWLZIQJSYGFHO-NZQZLILVSA-N |
Product Overview
Kylinone (CAS 72036-07-8), with molecular formula C15H21Br2ClO and molecular weight 409.96 g/mol. IUPAC: (2R,6S,9R,10R)-4,10-dibromo-9-chloro-2,5,5,9-tetramethylspiro[5.5]undec-3-en-1-one.
Chemical Property Profile of Kylinone
Property Insights of Kylinone
The XLogP value of 5.0 indicates that Kylinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Kylinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kylinone has 0 hydrogen bond donor(s) and 1 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 Kylinone?
The CAS number of Kylinone is 72036-07-8.
What is the molecular formula of Kylinone?
The molecular formula of Kylinone is C15H21Br2ClO.
What is the molecular weight of Kylinone?
The molecular weight of Kylinone is 409.96 g/mol.
Where can I buy Kylinone?
You can request a quote for Kylinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kylinone?
Yes, KEHONG BIO provides custom synthesis services for Kylinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.