CAS RN: 99759-48-5
Heteratisan-14-one, 6-(benzoyloxy)-20-ethyl-8-hydroxy-1-methoxy-4-meth yl-, (1alpha,6beta)-
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.20260413 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99759-48-5
- Purity/Analytical Methods: >99.0%
99759-48-5 / (12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl) benzoate
Basic Information
CAS
99759-48-5
Multi CAS
Yes
Molecular Formula
C29H37NO6
Molecular Weight
495.600000
Exact Mass
495.262088
InChI
InChI=1S/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18+,19-,20+,21-,22+,23+,24+,27-,28+,29+/m0/s1
InChIKey
XVVZJDDPRFFKTQ-UHDSVDSASA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
129.89
TPSA
85.3
LogP / Solubility
WLOGP
3.05
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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- CAS RN: 99765-49-8
- Product Code: starshine_CAS99765-49-8
- Purity/Analytical method: >99.0%
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