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CAS 1031602-63-7 UNC3230 molecular structure lightbox
CAS RN: 1031602-63-7

UNC3230

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shanghai Inquiry
Batchno.20260222 250mg In stock Shanghai Inquiry
Batchno.20260408 25mg In stock Shanghai Inquiry
Batchno.20250817 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS1031602-63-7
  • Purity/Analytical Methods: >99.0%
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1031602-63-7 / 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide

UNC3230 | UNC 3230 | 5-(Cyclohexanecarboxamido)-2-(phenylamino)thiazole-4-carboxamide

Standard CAS: 1031602-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031602-63-7
Multi CAS
No
Molecular Formula
C17H20N4O2S
Molecular Weight
344.400000
Exact Mass
344.130697
SMILES
C1CCC(CC1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C17H20N4O2S/c18-14(22)13-16(21-15(23)11-7-3-1-4-8-11)24-17(20-13)19-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,18,22)(H,19,20)(H,21,23)
InChIKey
RZCNASHHHSKTGP-UHFFFAOYSA-N
Synonyms
UNC3230 UNC 3230 5-(Cyclohexanecarboxamido)-2-(phenylamino)thiazole-4-carboxamide CHEMBL4303547 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.56
TPSA
97.11

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
4.2
Consensus LogP
3.6
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

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

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