[email protected]
CAS 31858-65-8 O-Desmethyl Mycophenolic Acid molecular structure lightbox
CAS RN: 31858-65-8

O-Desmethyl Mycophenolic Acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250810 1mg Out of stock Inquiry
  • Product code: starshine_CAS31858-65-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31858-65-8 / (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

Standard CAS: 31858-65-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31858-65-8
Multi CAS
Yes
Molecular Formula
C16H18O6
Molecular Weight
306.310000
Exact Mass
306.110338
InChI
InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+
InChIKey
MHSRNZSBNXFMLF-FPYGCLRLSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
77.96
TPSA
104.06

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us