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CAS 884880-37-9 Fmoc-D-Ala-OH.H2O molecular structure lightbox
CAS RN: 884880-37-9

Fmoc-D-Ala-OH.H2O

  • Product code: SSC-199185
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • 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 884880-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

884880-37-9 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrate

Standard CAS: 884880-37-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
884880-37-9
Multi CAS
Yes
Molecular Formula
C18H19NO5
Molecular Weight
329.300000
Exact Mass
329.126323
InChI
InChI=1S/C18H17NO4.H2O/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H2/t11-;/m1./s1
InChIKey
GAPWKFLOMOFHGO-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.92
TPSA
107.13

LogP / Solubility

WLOGP
2.17
MLOGP
1.93
XLogP3
2.17
Consensus LogP
2.09
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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