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CAS 182748-72-7 Boc-D-aspartinol 4-Benzyl Ester molecular structure lightbox
CAS RN: 182748-72-7

Boc-D-aspartinol 4-Benzyl Ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-084588
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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, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 182748-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

182748-72-7 / benzyl (3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Standard CAS: 182748-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182748-72-7
Multi CAS
No
Molecular Formula
C16H23NO5
Molecular Weight
309.360000
Exact Mass
309.157623
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)CO
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-13(10-18)9-14(19)21-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKey
XEGSFNZVTUGZCK-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.1
TPSA
84.86

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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