Aplysinolide
TL;DR: Aplysinolide (CAS 129138-54-1) is a chemical compound with molecular formula C12H10Br2O3 and molecular weight 359.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dibromo-6-methoxy-3-propan-2-ylidene-1-benzofuran-2-one
Also Known As: aplysinolide, 5,7-dibromo-6-methoxy-3-propan-2-ylidene-1-benzofuran-2-one, 2(3H)-Benzofuranone, 5,7-dibromo-6-methoxy-3-(1-methylethylidene)-, 5,7-dibromo-6-methoxy-3-propan-2-ylidene-benzofuran-2-one, 5,7-Dibromo-6-methoxy-3-(propan-2-ylidene)-1-benzofuran-2(3H)-one
| Molecular Formula | C12H10Br2O3 |
|---|---|
| Molecular Weight | 359.90 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.89966 |
| Heavy Atoms | 17 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 129138-54-1 |
|---|---|
| SMILES | CC(=C1C2=CC(=C(C(=C2OC1=O)Br)OC)Br)C |
| InChIKey | IPLSHQKIQOKXJD-UHFFFAOYSA-N |
Product Overview
Aplysinolide (CAS 129138-54-1), with molecular formula C12H10Br2O3 and molecular weight 359.90 g/mol. IUPAC: 5,7-dibromo-6-methoxy-3-propan-2-ylidene-1-benzofuran-2-one.
Chemical Property Profile of Aplysinolide
Property Insights of Aplysinolide
The XLogP value of 4.2 indicates that Aplysinolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Aplysinolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aplysinolide has 0 hydrogen bond donor(s) and 3 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 Aplysinolide?
The CAS number of Aplysinolide is 129138-54-1.
What is the molecular formula of Aplysinolide?
The molecular formula of Aplysinolide is C12H10Br2O3.
What is the molecular weight of Aplysinolide?
The molecular weight of Aplysinolide is 359.90 g/mol.
Where can I buy Aplysinolide?
You can request a quote for Aplysinolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysinolide?
Yes, KEHONG BIO provides custom synthesis services for Aplysinolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.