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CAS 116457-91-1 methyl (2R)-3-hydroxy-2-[(triphenylmethyl)amino]propanoate molecular structure lightbox
CAS RN: 116457-91-1

methyl (2R)-3-hydroxy-2-[(triphenylmethyl)amino]propanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016484
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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: 25g
  • 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 116457-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

116457-91-1 / methyl (2R)-3-hydroxy-2-(tritylamino)propanoate

N-(Triphenylmethyl)-DL-serine Methyl Ester | methyl 3-hydroxy-2-(tritylamino)propanoate | methyl 3-hydroxy-2-[(triphenylmethyl)amino]propanoate

Standard CAS: 116457-91-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
116457-91-1
Multi CAS
Yes
Molecular Formula
C23H23NO3
Molecular Weight
361.400000
Exact Mass
361.167794
SMILES
COC(=O)[C@@H](CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m1/s1
InChIKey
LXAWQKKSNNYYEK-OAQYLSRUSA-N
Synonyms
N-(Triphenylmethyl)-DL-serine Methyl Ester methyl 3-hydroxy-2-(tritylamino)propanoate methyl 3-hydroxy-2-[(triphenylmethyl)amino]propanoate MFCD00583950 METHYL 3-HYDROXY-2-(TRITYLAMINO)PROPIONATE

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
105.23
TPSA
58.56

LogP / Solubility

WLOGP
3.1
MLOGP
2.75
XLogP3
3.7
Consensus LogP
3.18
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72

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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