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CAS 1370651-34-5 6-[Bis[(1,1-diMethylethoxy)carbonyl]aMino]-5-[(1r)-1- (2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1370651-34-5

6-[Bis[(1,1-diMethylethoxy)carbonyl]aMino]-5-[(1r)-1- (2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid ethyl ester

  • Product code: SSC-046603
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 1370651-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1370651-34-5 / ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxylate

Standard CAS: 1370651-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1370651-34-5
Multi CAS
No
Molecular Formula
C25H30Cl2FN3O7
Molecular Weight
574.400000
Exact Mass
573.144484
SMILES
CCOC(=O)C1=NN=C(C(=C1)O[C@H](C)C2=C(C=CC(=C2Cl)F)Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C25H30Cl2FN3O7/c1-9-35-21(32)16-12-17(36-13(2)18-14(26)10-11-15(28)19(18)27)20(30-29-16)31(22(33)37-24(3,4)5)23(34)38-25(6,7)8/h10-13H,9H2,1-8H3/t13-/m1/s1
InChIKey
KXTZXAWGXSCLCC-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
138.4
TPSA
117.15

LogP / Solubility

WLOGP
6.92
MLOGP
6.13
XLogP3
5.9
Consensus LogP
6.32
Log S (ESOL)
-7.6
Class (ESOL)
Insoluble
Log S (Ali)
-9.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.31

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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