[email protected]
CAS 13149-00-3 cis-1,2-Cyclohexanedicarboxylic Anhydride molecular structure lightbox
CAS RN: 13149-00-3

cis-1,2-Cyclohexanedicarboxylic Anhydride

  • Product code: SSC-038509
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: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 13149-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
500g ≥98% 5 In Stock Hong Kong Inquiry
1000g ≥98% 2 In Stock Shanghai Inquiry

13149-00-3 / (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Standard CAS: 13149-00-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13149-00-3
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
SMILES
C1CC[C@H]2[C@@H](C1)C(=O)OC2=O
InChI
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+
InChIKey
MUTGBJKUEZFXGO-OLQVQODUSA-N

Physical Properties

Physical Description
White to pale yellow crystalline solid; mp = 31-36 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
3
Molar refractivity
36.55
TPSA
43.37

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
1.2
Consensus LogP
0.95
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Health Hazard Irritant
Signal
Danger
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us