Sclerosporin
TL;DR: Sclerosporin (CAS 66419-03-2) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,8aR)-6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Also Known As: Sclerosporin, (+)-Sclerosporin, (+)-Sclersporin, J2.771.099I, (4R,4aS,8aR)-6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylic acid
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 66419-03-2 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H](CC1)C(=CC[C@@H]2C(C)C)C(=O)O |
| InChIKey | WMNZIVZTRJKKHL-MBNYWOFBSA-N |
Product Overview
Sclerosporin (CAS 66419-03-2), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4R,4aS,8aR)-6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylic acid.
Chemical Property Profile of Sclerosporin
Property Insights of Sclerosporin
The XLogP value of 3.4 indicates that Sclerosporin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Sclerosporin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sclerosporin has 1 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 Sclerosporin?
The CAS number of Sclerosporin is 66419-03-2.
What is the molecular formula of Sclerosporin?
The molecular formula of Sclerosporin is C15H22O2.
What is the molecular weight of Sclerosporin?
The molecular weight of Sclerosporin is 234.16 g/mol.
Where can I buy Sclerosporin?
You can request a quote for Sclerosporin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sclerosporin?
Yes, KEHONG BIO provides custom synthesis services for Sclerosporin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.