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CAS 1188402-17-6 FMOC-ALA-(DMB)GLY-OH molecular structure lightbox
CAS RN: 1188402-17-6

FMOC-ALA-(DMB)GLY-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 10mg Out of stock 15 business days Inquiry
  • Product code: SSC-019072
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1188402-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1188402-17-6 / 2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetic acid

Fmoc-Ala-(Dmb)Gly-OH | MFCD08064314 | 2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetic acid

Standard CAS: 1188402-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188402-17-6
Multi CAS
Yes
Molecular Formula
C29H30N2O7
Molecular Weight
518.600000
Exact Mass
518.205301
SMILES
C[C@@H](C(=O)N(CC1=C(C=C(C=C1)OC)OC)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H30N2O7/c1-18(28(34)31(16-27(32)33)15-19-12-13-20(36-2)14-26(19)37-3)30-29(35)38-17-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-14,18,25H,15-17H2,1-3H3,(H,30,35)(H,32,33)/t18-/m0/s1
InChIKey
AWDFPJNCCCPIHR-SFHVURJKSA-N
Synonyms
Fmoc-Ala-(Dmb)Gly-OH MFCD08064314 2-[(2,4-dimethoxyphenyl)methyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetic acid 2-[(2S)-N-[(2,4-dimethoxyphenyl)methyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]acetic acid Fmoc-L-Ala-(Dmb)Gly-OH

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
140.27
TPSA
114.4

LogP / Solubility

WLOGP
4.04
MLOGP
3.6
XLogP3
4
Consensus LogP
3.88
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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