CTK3E9384
TL;DR: CTK3E9384 (CAS 82513-30-2) is a chemical compound with molecular formula C29H40O9 and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,4R,5R,7S,8R,9R,12S,13S,14S)-4,13-diacetyloxy-8-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] 2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, (1aR,2R,3S,4aR,6S,7S,7aS,8E,10R,11R,11aS)-2,7-bis(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-11-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-4a,7a-epoxy-5H-cyclopenta(a)cyclopropa(f)cycloundecen-10-yl ester, (2E)-
| Molecular Formula | C29H40O9 |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.2672 |
| Heavy Atoms | 38 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 82513-30-2 |
|---|---|
| SMILES | CC=C(C)C(=O)O[C@H]1[C@@H]([C@H]2[C@H](C2(C)C)[C@H]([C@@H](C(=O)[C@@]34C[C@@H]([C@@H]([C@@]3(O4)C=C1C)OC(=O)C)C)C)OC(=O)C)O |
| InChIKey | JCDHPWIMRDHSED-IXFMRCLWSA-N |
Product Overview
CTK3E9384 (CAS 82513-30-2), with molecular formula C29H40O9 and molecular weight 532.27 g/mol. IUPAC: [(1R,3S,4R,5R,7S,8R,9R,12S,13S,14S)-4,13-diacetyloxy-8-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl] 2-methylbut-2-enoate.
Chemical Property Profile of CTK3E9384
Property Insights of CTK3E9384
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3E9384. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E9384. Following Lipinski's Rule of Five, CTK3E9384 has 1 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 CTK3E9384?
The CAS number of CTK3E9384 is 82513-30-2.
What is the molecular formula of CTK3E9384?
The molecular formula of CTK3E9384 is C29H40O9.
What is the molecular weight of CTK3E9384?
The molecular weight of CTK3E9384 is 532.27 g/mol.
Where can I buy CTK3E9384?
You can request a quote for CTK3E9384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9384?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.