CAS RN: 1467083-09-5
Hybridaphniphylline B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1467083-09-5
- Purity/Analytical Methods: >99.0%
1467083-09-5 / (1R,4S,5R,8S,11S,12S,14R,15R,19S,23S,24R,26R,27S,31S)-10-(hydroxymethyl)-23,27-dimethyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21-azadecacyclo[14.11.1.11,24.14,15.15,8.04,28.05,14.019,27.021,26.011,31]hentriaconta-9,16(28)-diene-6,29-dione
Basic Information
CAS
1467083-09-5
Multi CAS
No
Molecular Formula
C37H47NO11
Molecular Weight
681.800000
Exact Mass
681.314911
SMILES
C[C@@H]1CN2C[C@H]3CCC4=C5[C@]6(CC[C@]57[C@]3([C@H]2C[C@H]1C7=O)C)C[C@H]4[C@@H]8[C@@]69[C@H]1[C@H](C=C([C@H]1[C@@H](O8)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)OC9=O
InChI
InChI=1S/C37H47NO11/c1-14-10-38-11-16-3-4-17-19-9-35(5-6-36(28(17)35)29(44)18(14)8-22(38)34(16,36)2)37-24-20(47-33(37)45)7-15(12-39)23(24)31(48-30(19)37)49-32-27(43)26(42)25(41)21(13-40)46-32/h7,14,16,18-27,30-32,39-43H,3-6,8-13H2,1-2H3
InChIKey
KCMKLEMDTFKPIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.84
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
5
Molar refractivity
165.68
TPSA
175.45
LogP / Solubility
WLOGP
0.04
MLOGP
0.09
XLogP3
-1.2
Consensus LogP
-0.36
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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