1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.
TL;DR: 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. (CAS 105535-53-3) 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,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-morpholin-4-ylacetate;hydrochloride
Also Known As: 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv., (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-Ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-5-yl (morpholin-4-yl)acetate--hydrogen chloride (1/1), [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-morpholin-4-ylacetate hydrochloride, RefChem:294809
| Molecular Formula | C26H42ClNO8 |
|---|---|
| Molecular Weight | 531.26 g/mol |
| LogP | 1.254 |
| 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 | 893.17 |
Chemical Identifiers
| CAS Number | 105535-53-3 |
|---|---|
| SMILES | C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)CN4CCOCC4)O)(C)C)O)C)O)C=C.Cl |
Product Overview
1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. (CAS 105535-53-3), with molecular formula C26H42ClNO8 and molecular weight 531.26 g/mol. IUPAC: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-morpholin-4-ylacetate;hydrochloride.
Chemical Property Profile of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.
Property Insights of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.
The XLogP value of 1.254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.. The TPSA of 125.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.. Following Lipinski's Rule of Five, 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. 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 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.?
The CAS number of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. is 105535-53-3.
What is the molecular formula of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.?
The molecular formula of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. is C26H42ClNO8.
What is the molecular weight of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.?
The molecular weight of 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. is 531.26 g/mol.
Where can I buy 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.?
You can request a quote for 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1H-Naphtho(2,1-B)pyran, 4-morpholineacetic acid deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.