CAS RN: 71749-02-5
H-DAP(Z)-OME HCL
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.20260328 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71749-02-5
- Purity/Analytical Methods: >99.0%
71749-02-5 / methyl 2-amino-3-(phenylmethoxycarbonylamino)propanoate;hydrochloride
Basic Information
CAS
71749-02-5
Multi CAS
Yes
Molecular Formula
C12H17CLN2O4
Molecular Weight
288.730000
Exact Mass
288.087685
InChI
InChI=1S/C12H16N2O4.ClH/c1-17-11(15)10(13)7-14-12(16)18-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3,(H,14,16);1H
InChIKey
SWVHIRLJXPQBCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.87
TPSA
90.65
LogP / Solubility
WLOGP
0.83
MLOGP
0.75
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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