J1.815.736E
TL;DR: J1.815.736E (CAS 403613-16-1) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,8R,10S,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
Also Known As: J1.815.736E, (13S,14R)-6beta,7alpha-Dihydroxy-11,17-dioxo-4,4,15-trimethyl-13-isopropyl-12,18-dinor-5alpha-androsta-8,15-diene-19-oic acid 19,6-lactone, 1H-5,10b-(Epoxymethano)pentaleno[2,1-a]naphthalene-9,10,11-trione, 2,3,4,4a,5,6,6b,9a-octahydro-6-hydroxy-4,4,7-trimethyl-9a-(1-methylethyl)-, (4aR,5R,6R,6bS,9aR,10bS)-rel-(+)-, rel-(5S,6S,7S,10R,12S,13R)-7-Hydroxyapiana-8,14-diene-11,16-dion-(22,6)-olide, (1R,4S,8R,10S,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-(propan-2-yl)-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione
| Molecular Formula | C23H28O5 |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.19366 |
| Heavy Atoms | 28 |
| Complexity | 906.0 |
Chemical Identifiers
| CAS Number | 403613-16-1 |
|---|---|
| SMILES | CC1=CC(=O)[C@@]2([C@H]1C3=C(C2=O)[C@@]45CCCC([C@@H]4[C@@H]([C@H]3O)OC5=O)(C)C)C(C)C |
| InChIKey | IEPYKUBVROCHOQ-XFBMJNQVSA-N |
Product Overview
J1.815.736E (CAS 403613-16-1), with molecular formula C23H28O5 and molecular weight 384.19 g/mol. IUPAC: (1R,4S,8R,10S,11S,12S)-10-hydroxy-7,13,13-trimethyl-4-propan-2-yl-18-oxapentacyclo[9.5.2.01,12.02,9.04,8]octadeca-2(9),6-diene-3,5,17-trione.
Chemical Property Profile of J1.815.736E
Property Insights of J1.815.736E
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.815.736E. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.815.736E. Following Lipinski's Rule of Five, J1.815.736E has 1 hydrogen bond donor(s) and 5 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 J1.815.736E?
The CAS number of J1.815.736E is 403613-16-1.
What is the molecular formula of J1.815.736E?
The molecular formula of J1.815.736E is C23H28O5.
What is the molecular weight of J1.815.736E?
The molecular weight of J1.815.736E is 384.19 g/mol.
Where can I buy J1.815.736E?
You can request a quote for J1.815.736E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.815.736E?
Yes, KEHONG BIO provides custom synthesis services for J1.815.736E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.