CAS RN: 79081-87-1
Mycophenolic Acid Lactone (EP Impurity H)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 2.5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS79081-87-1
- Purity/Analytical Methods: >99.0%
79081-87-1 / 7-hydroxy-5-methoxy-4-methyl-6-[2-[(2S)-2-methyl-5-oxooxolan-2-yl]ethyl]-3H-2-benzofuran-1-one
Basic Information
CAS
79081-87-1
Multi CAS
Yes
Molecular Formula
C17H20O6
Molecular Weight
320.300000
Exact Mass
320.125988
InChI
InChI=1S/C17H20O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-3)4-6-17(2)7-5-12(18)23-17/h19H,4-8H2,1-3H3/t17-/m0/s1
InChIKey
GNWIDHOJWGSPTK-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
80.57
TPSA
82.06
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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