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CAS 218962-77-7 H-P-CARBOXY-PHE(OTBU)-OH molecular structure lightbox
CAS RN: 218962-77-7

H-P-CARBOXY-PHE(OTBU)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-105415
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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
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 218962-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Shenzhen Inquiry

218962-77-7 / (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid

Standard CAS: 218962-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
218962-77-7
Multi CAS
No
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)10-6-4-9(5-7-10)8-11(15)12(16)17/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKey
KDWYFVGLKNKOMV-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.93
TPSA
89.62

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
-0.3
Consensus LogP
0.9
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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