[ CAS No. 1155-62-0 ] {[proInfo.proName]}

Name: 1155-62-0|Z-Glu-OH|97%
Brand: Ambeed
SKU: A163054
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Quality Control of [ 1155-62-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1155-62-0 ]

SDS Specification

Alternatived Products of [ 1155-62-0 ]

Product Details of [ 1155-62-0 ]

CAS No. :	1155-62-0	MDL No. :	MFCD00002801
Formula :	C₁₃H₁₅NO₆	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PVFCXMDXBIEMQG-JTQLQIEISA-N
M.W :	281.26	Pubchem ID :	70866
Synonyms :	N-Carbobenzoxy-L-glutamic acid	Chemical Name :	Z-Glu-OH

Calculated chemistry of [ 1155-62-0 ]

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.31
Num. rotatable bonds :	9
Num. H-bond acceptors :	6.0
Num. H-bond donors :	3.0
Molar Refractivity :	68.27
TPSA :	112.93 Å²

Pharmacokinetics

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) :	-7.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.99
Log Po/w (XLOGP3) :	0.92
Log Po/w (WLOGP) :	1.08
Log Po/w (MLOGP) :	0.82
Log Po/w (SILICOS-IT) :	0.55
Consensus Log Po/w :	0.87

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.79
Solubility :	4.55 mg/ml ; 0.0162 mol/l
Class :	Very soluble
Log S (Ali) :	-2.88
Solubility :	0.373 mg/ml ; 0.00133 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.15
Solubility :	2.01 mg/ml ; 0.00714 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.84

Safety of [ 1155-62-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1155-62-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 1155-62-0 ]
Downstream synthetic route of [ 1155-62-0 ]

[ 1155-62-0 ] Synthesis Path-Upstream 1~26

1
[ 67-56-1 ]
[ 57933-83-2 ]
[ 1155-62-0 ]
[ 4652-65-7 ]
[ 5672-83-3 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668
[2] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668

2
[ 1155-62-0 ]
[ 79-22-1 ]
[ 4652-65-7 ]
[ 5672-83-3 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668
[2] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668

3
[ 1155-62-0 ]
[ 4652-65-7 ]

Reference： [1] Journal of the Chemical Society, 1950, p. 1954,1958

4
[ 1155-62-0 ]
[ 79640-72-5 ]

Reference： [1] Journal of Medicinal Chemistry, 1991, vol. 34, # 3, p. 956 - 968

5
[ 1155-62-0 ]
[ 5891-45-2 ]

Reference： [1] Journal of Medicinal Chemistry, 1991, vol. 34, # 3, p. 956 - 968
[2] Journal of Medicinal Chemistry, 1990, vol. 33, # 2, p. 461 - 464

6
[ 67-56-1 ]
[ 57933-83-2 ]
[ 1155-62-0 ]
[ 4652-65-7 ]
[ 5672-83-3 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668
[2] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668

7
[ 1155-62-0 ]
[ 79-22-1 ]
[ 4652-65-7 ]
[ 5672-83-3 ]

Reference： [1] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668
[2] Tetrahedron Letters, 1987, vol. 28, # 15, p. 1665 - 1668

8
[ 1155-62-0 ]
[ 5672-83-3 ]

Reference： [1] Tetrahedron Letters, 2001, vol. 42, # 37, p. 6603 - 6606
[2] Tetrahedron Letters, 1988, vol. 29, # 18, p. 2231 - 2234
[3] Tetrahedron Letters, 1984, vol. 25, # 14, p. 1425 - 1428
[4] Journal of the Chemical Society, 1950, p. 1954,1958
[5] Journal of Medicinal Chemistry, 2013, vol. 56, # 6, p. 2466 - 2477

9
[ 1155-62-0 ]
[ 77-78-1 ]
[ 5672-83-3 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1972, p. 1 - 4
[2] Recueil des Travaux Chimiques des Pays-Bas, 1964, vol. 83, p. 199 - 207

10
[ 1155-62-0 ]
[ 3886-08-6 ]

Reference： [1] Tetrahedron Letters, 1989, vol. 30, # 49, p. 6859 - 6860

11
[ 1155-62-0 ]
[ 100-51-6 ]
[ 3705-42-8 ]

Reference： [1] ChemBioChem, 2012, vol. 13, # 9, p. 1319 - 1326

12
[ 1155-62-0 ]
[ 3705-42-8 ]

Reference： [1] Tetrahedron Letters, 2017, vol. 58, # 16, p. 1604 - 1606

13
[ 1155-62-0 ]
[ 100-39-0 ]
[ 3705-42-8 ]

Reference： [1] Journal of the Chemical Society [Section] C: Organic, 1967, p. 2410 - 2421
[2] Recueil des Travaux Chimiques des Pays-Bas, 1964, vol. 83, p. 199 - 207

14
[ 1155-62-0 ]
[ 32159-21-0 ]

Reference： [1] Journal of Medicinal Chemistry, 1990, vol. 33, # 2, p. 461 - 464
[2] Tetrahedron, 1989, vol. 45, # 23, p. 7459 - 7468
[3] Journal of Medicinal Chemistry, 1991, vol. 34, # 3, p. 956 - 968

15
[ 4124-76-9 ]
[ 1155-62-0 ]
[ 32159-21-0 ]

Reference： [1] Tetrahedron Asymmetry, 2006, vol. 17, # 14, p. 2120 - 2125
[2] Tetrahedron Asymmetry, 2006, vol. 17, # 14, p. 2120 - 2125

16
[ 1003-09-4 ]
[ 4124-76-9 ]
[ 1155-62-0 ]
[ 32159-21-0 ]