C26H41NO8.ClH.1/2H2O
TL;DR: C26H41NO8.ClH.1/2H2O (CAS 111188-69-3) is a chemical compound with molecular formula C26H42ClNO8 and molecular weight 531.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-5,10,10b-trihydroxy-2,4a,7,7,10a-pentamethyl-1-oxo-2,3,5,6,6a,8,9,10-octahydrobenzo[f]chromen-6-yl] 2-morpholin-4-ylacetate;hydrochloride
Also Known As: C26H41NO8.ClH.1/2H2O, C26-H41-N-O8.Cl-H.1/2H2-O, 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv., (3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-Ethenyl-5,10,10b-trihydroxy-2,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl (morpholin-4-yl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C26H42ClNO8 |
|---|---|
| Molecular Weight | 531.26 g/mol |
| LogP | 1.1099 |
| Topological Polar Surface Area | 125.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.2599 |
| Heavy Atoms | 36 |
| Complexity | 878.0055 |
Chemical Identifiers
| CAS Number | 111188-69-3 |
|---|---|
| SMILES | CC1[C@H](O[C@]2([C@@H]([C@@H]([C@H]3[C@]([C@@]2(C1=O)O)([C@@H](CCC3(C)C)O)C)OC(=O)CN4CCOCC4)O)C)C=C.Cl |
Product Overview
C26H41NO8.ClH.1/2H2O (CAS 111188-69-3), with molecular formula C26H42ClNO8 and molecular weight 531.26 g/mol. IUPAC: [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-5,10,10b-trihydroxy-2,4a,7,7,10a-pentamethyl-1-oxo-2,3,5,6,6a,8,9,10-octahydrobenzo[f]chromen-6-yl] 2-morpholin-4-ylacetate;hydrochloride.
Chemical Property Profile of C26H41NO8.ClH.1/2H2O
Property Insights of C26H41NO8.ClH.1/2H2O
The XLogP value of 1.1099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C26H41NO8.ClH.1/2H2O. The TPSA of 125.76 Ų falls within the moderate polarity range, balancing permeability and solubility for C26H41NO8.ClH.1/2H2O. Following Lipinski's Rule of Five, C26H41NO8.ClH.1/2H2O has 3 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 C26H41NO8.ClH.1/2H2O?
The CAS number of C26H41NO8.ClH.1/2H2O is 111188-69-3.
What is the molecular formula of C26H41NO8.ClH.1/2H2O?
The molecular formula of C26H41NO8.ClH.1/2H2O is C26H42ClNO8.
What is the molecular weight of C26H41NO8.ClH.1/2H2O?
The molecular weight of C26H41NO8.ClH.1/2H2O is 531.26 g/mol.
Where can I buy C26H41NO8.ClH.1/2H2O?
You can request a quote for C26H41NO8.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H41NO8.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C26H41NO8.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.