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CAS 944706-09-6 (4R,4’R)- 2,2′-(1-ethylpropylidene)bis[4,5-dihydro-4-(1-methylethyl)-Oxazole molecular structure lightbox
CAS RN: 944706-09-6

(4R,4’R)- 2,2′-(1-ethylpropylidene)bis[4,5-dihydro-4-(1-methylethyl)-Oxazole

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260112 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250505 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS944706-09-6
  • Purity/Analytical Methods: >99.0%
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944706-09-6 / 4-propan-2-yl-2-[3-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-dihydro-1,3-oxazole

Standard CAS: 944706-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944706-09-6
Multi CAS
Yes
Molecular Formula
C17H30N2O2
Molecular Weight
294.400000
Exact Mass
294.230728
InChI
InChI=1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14-/m0/s1
InChIKey
PIJFQTUSLZLNOP-KBPBESRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
87.04
TPSA
43.18

LogP / Solubility

WLOGP
3.7
MLOGP
3.27
XLogP3
3.9
Consensus LogP
3.62
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

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

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