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CAS 192939-46-1 EXANTA molecular structure lightbox
CAS RN: 192939-46-1

EXANTA

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 10mg Out of stock Inquiry
Batchno.20260128 1mg In stock Shanghai Inquiry
Batchno.20250823 25mg Out of stock Inquiry
Batchno.20250530 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS192939-46-1
  • Purity/Analytical Methods: >99.0%
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192939-46-1 / ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate

Standard CAS: 192939-46-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
192939-46-1
Multi CAS
No
Molecular Formula
C24H35N5O5
Molecular Weight
473.600000
Exact Mass
473.263819
SMILES
CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1
InChIKey
ZXIBCJHYVWYIKI-PZJWPPBQSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
125.92
TPSA
146.35

LogP / Solubility

WLOGP
1.1
MLOGP
1
XLogP3
2.2
Consensus LogP
1.43
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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