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CAS 136554-96-6 Fmoc-D-Cysteic acid molecular structure lightbox
CAS RN: 136554-96-6

Fmoc-D-Cysteic acid

  • Product code: SSC-045566
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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 136554-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

136554-96-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfopropanoic acid

Standard CAS: 136554-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136554-96-6
Multi CAS
No
Molecular Formula
C18H17NO7S
Molecular Weight
391.400000
Exact Mass
391.072573
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CS(=O)(=O)O)C(=O)O
InChI
InChI=1S/C18H17NO7S/c20-17(21)16(10-27(23,24)25)19-18(22)26-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,19,22)(H,20,21)(H,23,24,25)/t16-/m1/s1
InChIKey
BUTKUPGRCQCTTA-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
96.04
TPSA
130

LogP / Solubility

WLOGP
1.87
MLOGP
1.67
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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