![CAS 1002310-30-6 tert-butyl (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1002310-30-6.gif)
CAS RN: 1002310-30-6
tert-butyl (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260626 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1002310-30-6
- Purity/Analytical Methods: >99.0%
1002310-30-6 / tert-butyl N-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
tert-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamate | tert-butyl N-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate | tert-butyl (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate
Basic Information
CAS
1002310-30-6
Multi CAS
No
Molecular Formula
C11H14ClN5O2
Molecular Weight
283.710000
Exact Mass
283.083602
SMILES
CC(C)(C)OC(=O)NCC1=NN=C2N1N=C(C=C2)Cl
InChI
InChI=1S/C11H14ClN5O2/c1-11(2,3)19-10(18)13-6-9-15-14-8-5-4-7(12)16-17(8)9/h4-5H,6H2,1-3H3,(H,13,18)
InChIKey
VHQMHNOTRSUPFO-UHFFFAOYSA-N
Synonyms
tert-Butyl ((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)carbamate
tert-butyl N-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
tert-butyl (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate
tert-Butyl [(6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
tert-butyl N-({6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methyl)carbamate
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.87
TPSA
81.41
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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