CAS RN: 855005-12-8
FMOC-2-AMINO-4,5-DIMETHOXYBENZOIC ACID
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.20251030 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS855005-12-8
- Purity/Analytical Methods: >99.0%
855005-12-8 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,5-dimethoxybenzoic acid
Basic Information
CAS
855005-12-8
Multi CAS
No
Molecular Formula
C24H21NO6
Molecular Weight
419.400000
Exact Mass
419.136887
InChI
InChI=1S/C24H21NO6/c1-29-21-11-18(23(26)27)20(12-22(21)30-2)25-24(28)31-13-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-12,19H,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKey
QTKHOIFQEMJVHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
115.2
TPSA
94.09
LogP / Solubility
WLOGP
4.76
MLOGP
4.22
XLogP3
4.6
Consensus LogP
4.53
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
