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CAS 214852-60-5 (2R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]butanoic acid molecular structure lightbox
CAS RN: 214852-60-5

(2R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]butanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-103012
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 214852-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

214852-60-5 / (2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 214852-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214852-60-5
Multi CAS
No
Molecular Formula
C17H24N2O6
Molecular Weight
352.400000
Exact Mass
352.163436
SMILES
CC(C)(C)OC(=O)NCC[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(22)18-10-9-13(14(20)21)19-16(23)24-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t13-/m1/s1
InChIKey
ONDKXCQPYFHZPA-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
90.04
TPSA
113.96

LogP / Solubility

WLOGP
2.28
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly 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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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