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CAS 19885-60-0 PYRROLO[3,4-C]PYRROLE, OCTAHYDRO-, CIS- molecular structure lightbox
CAS RN: 19885-60-0

PYRROLO[3,4-C]PYRROLE, OCTAHYDRO-, CIS-

  • Product code: SSC-093662
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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: 5g, 0.25g, 0.1g, 1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 19885-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 3 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

19885-60-0 / 1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole

Standard CAS: 19885-60-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19885-60-0
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
C1C2CNCC2CN1
InChI
InChI=1S/C6H12N2/c1-5-2-8-4-6(5)3-7-1/h5-8H,1-4H2
InChIKey
QFCMBRXRVQRSSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.72
TPSA
24.06

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.52
XLogP3
-0.6
Consensus LogP
-0.56
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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