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CAS 1137608-69-5 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt molecular structure lightbox
CAS RN: 1137608-69-5

4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260203 100mg In stock Shanghai Inquiry
Batchno.20250418 10mg In stock Shanghai Inquiry
Batchno.20250206 1g In stock Shanghai Inquiry
Batchno.20250926 250mg In stock Shanghai Inquiry
Batchno.20260117 25mg In stock Shanghai Inquiry
Batchno.20260330 50mg In stock Shanghai Inquiry
Batchno.20260622 5mg In stock Shanghai Inquiry
Batchno.20260519 5mg / 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-013754
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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 1137608-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1137608-69-5 / 2-benzamidoacetic acid;ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate

Telotristat etiprate | LX1606 Hippurate | Telotristat ethyl hippurate

Standard CAS: 1137608-69-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1137608-69-5
Multi CAS
Yes
Molecular Formula
C36H35ClF3N7O6
Molecular Weight
754.200000
Exact Mass
753.228944
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N.C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C27H26ClF3N6O3.C9H9NO3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35);1-5H,6H2,(H,10,13)(H,11,12)/t20-,24+;/m0./s1
InChIKey
XSFPZBUIBYMVEA-CELUQASASA-N
Synonyms
Telotristat etiprate LX1606 Hippurate Telotristat ethyl hippurate LX1032 hippurate LX-1606 Hippurate

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
29
Fraction Csp3
0.22
Rotatable bonds
12
H-bond acceptors
11
H-bond donors
4
Molar refractivity
189.34
TPSA
197.57

LogP / Solubility

WLOGP
5.49
MLOGP
4.9
XLogP3
5.49
Consensus LogP
5.29
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-9.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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