A 4014A
TL;DR: A 4014A (CAS 69659-06-9) is a chemical compound with molecular formula C27H42O9 and molecular weight 510.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyacetate
Also Known As: A 4014A, 6-Ethenyl-5-hydroxy-4,6,9,12-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (beta-D-xylopyranosyloxy)acetate, 6-Ethenyl-5-hydroxy-4,6,9,12-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (pentopyranosyloxy)acetate, Acetic acid, (beta-D-xylopyranosyloxy)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3ah-cyclopentacycloocten-8-yl ester, (3aS-(3a-alpha,4-beta,5-alpha,6-alpha,8-beta,9-beta,9a-beta,10S*))-
| Molecular Formula | C27H42O9 |
|---|---|
| Molecular Weight | 510.28 g/mol |
| LogP | 1.3485 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.2829 |
| Heavy Atoms | 36 |
| Complexity | 877.30566 |
Chemical Identifiers
| CAS Number | 69659-06-9 |
|---|---|
| SMILES | CC1CCC2(C(CC(C(C(C13C2C(=O)CC3)C)O)(C)C=C)OC(=O)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C |
Product Overview
A 4014A (CAS 69659-06-9), with molecular formula C27H42O9 and molecular weight 510.28 g/mol. IUPAC: (4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyacetate.
Chemical Property Profile of A 4014A
Property Insights of A 4014A
The XLogP value of 1.3485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 4014A. The TPSA of 142.75 Ų indicates high polarity, suggesting A 4014A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 4014A has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A 4014A?
The CAS number of A 4014A is 69659-06-9.
What is the molecular formula of A 4014A?
The molecular formula of A 4014A is C27H42O9.
What is the molecular weight of A 4014A?
The molecular weight of A 4014A is 510.28 g/mol.
Where can I buy A 4014A?
You can request a quote for A 4014A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 4014A?
Yes, KEHONG BIO provides custom synthesis services for A 4014A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.