CAS RN: 90013-45-9
BOC-O-DIBENZYLPHOSPHO-L-SERINE
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.20250422 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90013-45-9
- Purity/Analytical Methods: >99.0%
90013-45-9 / 3-bis(phenylmethoxy)phosphoryloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Basic Information
CAS
90013-45-9
Multi CAS
Yes
Molecular Formula
C22H28NO8P
Molecular Weight
465.400000
Exact Mass
465.155254
InChI
InChI=1S/C22H28NO8P/c1-22(2,3)31-21(26)23-19(20(24)25)16-30-32(27,28-14-17-10-6-4-7-11-17)29-15-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
KZUUIAQQHXTYFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
2
Molar refractivity
116.81
TPSA
120.39
LogP / Solubility
WLOGP
4.52
MLOGP
4.01
XLogP3
2.8
Consensus LogP
3.78
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
