Pilatin
TL;DR: Pilatin (CAS 119525-97-2) is a chemical compound with molecular formula C21H26O7 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,5R,6R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate
Also Known As: Pilatin, 2,4,6-Trimethyl-pyrimidine dihydrate, 2-Hexenoic acid, 5a,7,8,8a-tetrahydro-3,5a-dihydroxy-7,7-dimethyl-4-formyl-1-oxo-3H,6H,3a,8b-methano-1H-indeno(4,5-c)furan-6-yl ester, (3S-(3-alpha,3a-beta,5a-beta,6-alpha(E),8a-beta,9b-beta))-, 2-Hexenoic acid, 5a,7,8,8a-tetrahydro-4-formyl-3,5a-dihydroxy-7,7-dimethyl-1-oxo-3H,6H-3a,8b-methano-1H-indeno(4,5-c)furan-6-yl ester, (3S-(3alpha,3abeta,5abeta,6alpha(E),8abeta,9bbeta))-, [(2R,5R,6R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate
| Molecular Formula | C21H26O7 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 1.4223 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.16785 |
| Heavy Atoms | 28 |
| Complexity | 811.5717 |
Chemical Identifiers
| CAS Number | 119525-97-2 |
|---|---|
| SMILES | CCC/C=C/C(=O)O[C@H]1[C@]2(C=C(C34CC3([C@H]2CC1(C)C)C(=O)O[C@@H]4O)C=O)O |
Product Overview
Pilatin (CAS 119525-97-2), with molecular formula C21H26O7 and molecular weight 390.17 g/mol. IUPAC: [(2R,5R,6R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate.
Chemical Property Profile of Pilatin
Property Insights of Pilatin
The XLogP value of 1.4223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pilatin. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Pilatin. Following Lipinski's Rule of Five, Pilatin has 2 hydrogen bond donor(s) and 7 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 Pilatin?
The CAS number of Pilatin is 119525-97-2.
What is the molecular formula of Pilatin?
The molecular formula of Pilatin is C21H26O7.
What is the molecular weight of Pilatin?
The molecular weight of Pilatin is 390.17 g/mol.
Where can I buy Pilatin?
You can request a quote for Pilatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pilatin?
Yes, KEHONG BIO provides custom synthesis services for Pilatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.