CAS RN: 1808260-84-5
FASN-IN-1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250912 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1808260-84-5
- Purity/Analytical Methods: >99.0%
1808260-84-5 / (2S)-N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylbutanamide
Basic Information
CAS
1808260-84-5
Multi CAS
No
Molecular Formula
C18H25N3O3S2
Molecular Weight
395.500000
Exact Mass
395.133734
SMILES
CC[C@H](C)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC
InChI
InChI=1S/C18H25N3O3S2/c1-5-13(4)17(22)20-18-19-16(12-25-18)14-8-10-15(11-9-14)26(23,24)21(6-2)7-3/h8-13H,5-7H2,1-4H3,(H,19,20,22)/t13-/m0/s1
InChIKey
IXMQVFSSASHOGM-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
105.74
TPSA
79.37
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
3.4
Consensus LogP
3.54
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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