[email protected]
CAS 55723-45-0 (2R,3S)-N-CARBOBENZYLOXY-2-AMINO-3-METHYLPENTANOIC ACID molecular structure lightbox
CAS RN: 55723-45-0

(2R,3S)-N-CARBOBENZYLOXY-2-AMINO-3-METHYLPENTANOIC ACID

  • Product code: SSC-163670
GET A QUOTE
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: 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 55723-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

55723-45-0 / 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 55723-45-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55723-45-0
Multi CAS
Yes
Molecular Formula
C14H19NO4
Molecular Weight
265.300000
Exact Mass
265.131408
InChI
InChI=1S/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12+/m0/s1
InChIKey
JSHXJPFZKBRLFU-CMPLNLGQSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.64
TPSA
75.63

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.8
Consensus LogP
2.45
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us