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CAS 1263046-35-0 FMOC-D-DAP(MTT)-OH molecular structure lightbox
CAS RN: 1263046-35-0

FMOC-D-DAP(MTT)-OH

  • Product code: SSC-033287
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1263046-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shenzhen Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
1g >98% 0 Out of Stock Shenzhen Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry
10g >98% 0 Out of Stock Shanghai Inquiry
25g >98% 0 Out of Stock Hong Kong Inquiry

1263046-35-0 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(4-methylphenyl)-diphenylmethyl]amino]propanoic acid

Standard CAS: 1263046-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263046-35-0
Multi CAS
No
Molecular Formula
C38H34N2O4
Molecular Weight
582.700000
Exact Mass
582.251858
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H34N2O4/c1-26-20-22-29(23-21-26)38(27-12-4-2-5-13-27,28-14-6-3-7-15-28)39-24-35(36(41)42)40-37(43)44-25-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35,39H,24-25H2,1H3,(H,40,43)(H,41,42)/t35-/m1/s1
InChIKey
WDZDBCVDBMWMAM-PGUFJCEWSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
171.58
TPSA
87.66

LogP / Solubility

WLOGP
6.87
MLOGP
6.09
XLogP3
5
Consensus LogP
5.99
Log S (ESOL)
-7.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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