CAS RN: 10270-79-8
H-DAB(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.20260421 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS10270-79-8
- Purity/Analytical Methods: >99.0%
10270-79-8 / methyl (2S)-2-amino-4-(phenylmethoxycarbonylamino)butanoate;hydrochloride
H-Dab(Z)-Ome.HCl | N4-Z-(S)-2,4-Diaminobutanoic acid methyl ester hydrochloride | MFCD08275864
Basic Information
CAS
10270-79-8
Multi CAS
Yes
Molecular Formula
C13H19ClN2O4
Molecular Weight
302.750000
Exact Mass
302.103335
SMILES
COC(=O)[C@H](CCNC(=O)OCC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C13H18N2O4.ClH/c1-18-12(16)11(14)7-8-15-13(17)19-9-10-5-3-2-4-6-10;/h2-6,11H,7-9,14H2,1H3,(H,15,17);1H/t11-;/m0./s1
InChIKey
PFGFDLUZWWUWAO-MERQFXBCSA-N
Synonyms
H-Dab(Z)-Ome.HCl
N4-Z-(S)-2,4-Diaminobutanoic acid methyl ester hydrochloride
MFCD08275864
methyl (2S)-2-amino-4-(phenylmethoxycarbonylamino)butanoate;hydrochloride
H-L-Dab(Z)-OMe HCl
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.49
TPSA
90.65
LogP / Solubility
WLOGP
1.22
MLOGP
1.09
XLogP3
1.22
Consensus LogP
1.18
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
