Roxburghiadiol A
TL;DR: Roxburghiadiol A (CAS 103629-94-3) is a chemical compound with molecular formula C29H48O2 and molecular weight 428.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,6S,8S,9S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol
Also Known As: Roxburghiadiol A, Roxburghiadiol B, 4-Bisnormethyl-24-methylenecycloarta-3,6-diol, 14-Methyl-9,19-cycloergost-24(28)-ene-3,6-diol, (1S,3R,6S,8S,9S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol
| Molecular Formula | C29H48O2 |
|---|---|
| Molecular Weight | 428.37 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.36542 |
| Heavy Atoms | 31 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 103629-94-3 |
|---|---|
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]([C@@H]5[C@]3(C4)CC[C@@H](C5)O)O)C)C |
| InChIKey | FLFAKBJFVNSCHC-HFOFPBCXSA-N |
Product Overview
Roxburghiadiol A (CAS 103629-94-3), with molecular formula C29H48O2 and molecular weight 428.37 g/mol. IUPAC: (1S,3R,6S,8S,9S,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol.
Chemical Property Profile of Roxburghiadiol A
Property Insights of Roxburghiadiol A
The XLogP value of 8.1 indicates that Roxburghiadiol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Roxburghiadiol A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roxburghiadiol A has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roxburghiadiol A?
The CAS number of Roxburghiadiol A is 103629-94-3.
What is the molecular formula of Roxburghiadiol A?
The molecular formula of Roxburghiadiol A is C29H48O2.
What is the molecular weight of Roxburghiadiol A?
The molecular weight of Roxburghiadiol A is 428.37 g/mol.
Where can I buy Roxburghiadiol A?
You can request a quote for Roxburghiadiol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxburghiadiol A?
Yes, KEHONG BIO provides custom synthesis services for Roxburghiadiol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.