[email protected]
CAS 100836-85-9 (R)-(+)-2-BENZYLOXYPROPIONIC ACID molecular structure lightbox
CAS RN: 100836-85-9

(R)-(+)-2-BENZYLOXYPROPIONIC ACID

  • Product code: SSC-001561
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, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 100836-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g -- 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Hong Kong Inquiry

100836-85-9 / (2R)-2-phenylmethoxypropanoic acid

2-(Benzyloxy)propanoic acid | DTXSID50996020 | RefChem:459798

Standard CAS: 100836-85-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100836-85-9
Multi CAS
Yes
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
C[C@H](C(=O)O)OCC1=CC=CC=C1
InChI
InChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey
XWAVPOFYNPXXEL-MRVPVSSYSA-N
Synonyms
2-(Benzyloxy)propanoic acid DTXSID50996020 RefChem:459798 DTXCID70835285 843-811-2

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.33
TPSA
46.53

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.6
Consensus LogP
1.58
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

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

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (90.9%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us