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CAS 1044148-88-0 tert-butyl 4-((tert-butoxycarbonyl)amino)-2,6-dichloronicotinate molecular structure lightbox
CAS RN: 1044148-88-0

tert-butyl 4-((tert-butoxycarbonyl)amino)-2,6-dichloronicotinate

  • Product code: SSC-006174
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1044148-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1044148-88-0 / tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

TERT-BUTYL N-TERT-BUTOXYCARBONYL-N-(2,6-DICHLORO-4-PYRIDYL)CARBAMATE | Imidodicarbonic acid, 2-(2,6-dichloro-4-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester | tert-Butyl (tert-butoxycarbonyl)(2,6-dichloropyridin-4-yl)carbamate

Standard CAS: 1044148-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1044148-88-0
Multi CAS
Yes
Molecular Formula
C15H20Cl2N2O4
Molecular Weight
363.200000
Exact Mass
362.080013
SMILES
CC(C)(C)OC(=O)N(C1=CC(=NC(=C1)Cl)Cl)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H20Cl2N2O4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)9-7-10(16)18-11(17)8-9/h7-8H,1-6H3
InChIKey
YYJYBIUKRLKJOI-UHFFFAOYSA-N
Synonyms
TERT-BUTYL N-TERT-BUTOXYCARBONYL-N-(2,6-DICHLORO-4-PYRIDYL)CARBAMATE Imidodicarbonic acid, 2-(2,6-dichloro-4-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester tert-Butyl (tert-butoxycarbonyl)(2,6-dichloropyridin-4-yl)carbamate MFCD32704795 tert-butyl N-(2,6-dichloropyridin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
89.2
TPSA
68.73

LogP / Solubility

WLOGP
5.07
MLOGP
4.48
XLogP3
4.7
Consensus LogP
4.75
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

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

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