CAS RN: 1467083-07-3
Hybridaphniphylline A
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.20250205 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1467083-07-3
- Purity/Analytical Methods: >99.0%
1467083-07-3 / 7-(hydroxymethyl)-17,21-dimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,10-dioxa-23-azadecacyclo[14.11.1.11,12.12,5.116,20.02,11.013,28.017,25.018,23.08,31]hentriaconta-6,13(28)-diene-3,29-dione
Basic Information
CAS
1467083-07-3
Multi CAS
No
Molecular Formula
C37H47NO11
Molecular Weight
681.800000
Exact Mass
681.314911
SMILES
CC1CN2CC3CCC45CC(C6C47C8C(C=C(C8C(O6)OC9C(C(C(C(O9)CO)O)O)O)CO)OC7=O)C4=C5C5(C3(C2CC1C5=O)C)CC4
InChI
InChI=1S/C37H47NO11/c1-14-10-38-11-16-3-5-35-9-19(17-4-6-36(28(17)35)29(44)18(14)8-22(38)34(16,36)2)30-37(35)24-20(47-33(37)45)7-15(12-39)23(24)31(48-30)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
NUZJHFQGXVKNBJ-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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