CAS RN: 1093192-06-3
(S)-methyl 3-(tert-butoxycarbonylamino)-3-methyl-2-((S)-1-phenylethylamino)butanoate
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.20250605 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1093192-06-3
- Purity/Analytical Methods: >99.0%
1093192-06-3 / methyl (2S)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(1S)-1-phenylethyl]amino]butanoate
(S)-Methyl 3-((tert-butoxycarbonyl)amino)-3-methyl-2-(((S)-1-phenylethyl)amino)butanoate | (S)-methyl 3-(tert-butoxycarbonylamino)-3-methyl-2-((S)-1-phenylethylamino)butanoate | MFCD27992079
Basic Information
CAS
1093192-06-3
Multi CAS
Yes
Molecular Formula
C19H30N2O4
Molecular Weight
350.500000
Exact Mass
350.220557
SMILES
C[C@@H](C1=CC=CC=C1)N[C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30N2O4/c1-13(14-11-9-8-10-12-14)20-15(16(22)24-7)19(5,6)21-17(23)25-18(2,3)4/h8-13,15,20H,1-7H3,(H,21,23)/t13-,15+/m0/s1
InChIKey
ANRULRPIGXTOCP-DZGCQCFKSA-N
Synonyms
(S)-Methyl 3-((tert-butoxycarbonyl)amino)-3-methyl-2-(((S)-1-phenylethyl)amino)butanoate
(S)-methyl 3-(tert-butoxycarbonylamino)-3-methyl-2-((S)-1-phenylethylamino)butanoate
MFCD27992079
C19H30N2O4
methyl (2S)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(1S)-1-phenylethyl]amino]butanoate
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
97.25
TPSA
76.66
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
3
Consensus LogP
3
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
(S)-Methyl-2-aMino-3-(tert-butoxycarbonylaMino)-3-Methylbutanoate
- CAS RN: 1093192-07-4
- Product Code: SSC-010576
-
-
-
(R)-Methyl 2-Amino-3-(Tert-Butoxycarbonylamino)-3-Methylbutanoate
- CAS RN: 1093198-33-4
- Product Code: starshine_CAS1093198-33-4
- Purity/Analytical method: >99.0%
-
-
3-Hydroxy-4,15-dir-1(5)-xanthen-12,8-olide
- CAS RN: 1093207-99-8
- Product Code: starshine_CAS1093207-99-8
- Purity/Analytical method: >99.0%
