CAS RN: 15268-31-2
3-ISOCYANATOPYRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS15268-31-2
- Purity/Analytical Methods: >99.0%
15268-31-2 / 3-isocyanatopyridine
Basic Information
CAS
15268-31-2
Multi CAS
No
Molecular Formula
C6H4N2O
Molecular Weight
120.110000
Exact Mass
120.032363
SMILES
C1=CC(=CN=C1)N=C=O
InChI
InChI=1S/C6H4N2O/c9-5-8-6-2-1-3-7-4-6/h1-4H
InChIKey
SHVVSKCXWMEDRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.02
TPSA
42.32
LogP / Solubility
WLOGP
1.05
MLOGP
0.91
XLogP3
1.7
Consensus LogP
1.22
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-2.71
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
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (11.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (95.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (11.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
O-(3-Phenoxy-propyl)-hydroxylamine hydrochloride
- CAS RN: 15269-73-5
- Product Code: SSC-062430
-
estradiol-3-glucuronide
- CAS RN: 15270-30-1
- Product Code: starshine_CAS15270-30-1
- Purity/Analytical method: >99.0%
-
-
COPPER(II) 4 4′ 4” 4”’-TETRAAZA-29H 3&
- CAS RN: 15275-52-2
- Product Code: starshine_CAS15275-52-2
- Purity/Analytical method: >99.0%
-
-
Gold(3+),bis(1,2-ethanediamine-kN1,kN2)-, chloride (1:3), (SP-4-1)-
- CAS RN: 15278-22-5
- Product Code: starshine_CAS15278-22-5
- Purity/Analytical method: >99.0%
