CAS RN: 1071815-00-3
FMoc-N-Me-D-Gln-OH
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1071815-00-3
- Purity/Analytical Methods: >99.0%
1071815-00-3 / (2R)-5-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxopentanoic acid
5-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxopentanoic acid | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-amino-5-oxopentanoic acid | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-amino-5-oxopentanoic acid
Basic Information
CAS
1071815-00-3
Multi CAS
Yes
Molecular Formula
C21H22N2O5
Molecular Weight
382.400000
Exact Mass
382.152872
SMILES
CN([C@H](CCC(=O)N)C(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H22N2O5/c1-23(18(20(25)26)10-11-19(22)24)21(27)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H2,22,24)(H,25,26)/t18-/m1/s1
InChIKey
RKLOXTAEGHPJPW-GOSISDBHSA-N
Synonyms
5-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxopentanoic acid
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-amino-5-oxopentanoic acid
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-5-amino-5-oxopentanoic acid
SCHEMBL27714933
(2R)-5-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxopentanoic acid
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
102.68
TPSA
109.93
LogP / Solubility
WLOGP
2.59
MLOGP
2.3
XLogP3
2.1
Consensus LogP
2.33
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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