CAS RN: 1176648-58-0
FMOC-(S)-2-METHOXY-PHENYLGLYCINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260618 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1176648-58-0
- Purity/Analytical Methods: >99.0%
1176648-58-0 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methoxyphenyl)acetic acid
Fmoc-(S)-2-Methoxy-phenylglycine | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(2-methoxyphenyl)acetic acid | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methoxyphenyl)acetic acid
Basic Information
CAS
1176648-58-0
Multi CAS
Yes
Molecular Formula
C24H21NO5
Molecular Weight
403.400000
Exact Mass
403.141973
SMILES
COC1=CC=CC=C1[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO5/c1-29-21-13-7-6-12-19(21)22(23(26)27)25-24(28)30-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-13,20,22H,14H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKey
LZAACEXURLBYEU-QFIPXVFZSA-N
Synonyms
Fmoc-(S)-2-Methoxy-phenylglycine
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(2-methoxyphenyl)acetic acid
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(2-methoxyphenyl)acetic acid
MFCD07371754
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(2-methoxyphenyl)acetic acid
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.58
TPSA
84.86
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
4.3
Consensus LogP
4.17
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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