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CAS 65733-16-6 S-(+)-METHOPRENE molecular structure lightbox
CAS RN: 65733-16-6

S-(+)-METHOPRENE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 1g In stock Shanghai, Guangdong Inquiry
Batchno.20251025 250mg In stock Shanghai Inquiry
Batchno.20260329 50mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251120 5g In stock Hebei Inquiry
  • Product code: starshine_CAS65733-16-6
  • Purity/Analytical Methods: >99.0%
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65733-16-6 / propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate

Standard CAS: 65733-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65733-16-6
Multi CAS
Yes
Molecular Formula
C19H34O3
Molecular Weight
310.500000
Exact Mass
310.250795
InChI
InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1
InChIKey
NFGXHKASABOEEW-GYMWBFJFSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.74
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
92.85
TPSA
35.53

LogP / Solubility

WLOGP
5.06
MLOGP
4.47
XLogP3
5.5
Consensus LogP
5.01
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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