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CAS 629-74-3 1-Hexadecyne molecular structure lightbox
CAS RN: 629-74-3

1-Hexadecyne

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260410 1ml Out of stock Inquiry
Batchno.20250616 25ml In stock Inquiry
Batchno.20250105 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250116 1ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250225 25ml Out of stock 8-10 business days Inquiry
Batchno.20260526 5ml In stock Shanghai, Shandong Inquiry
  • Product code: ICTH0433
  • Purity/Analytical Methods: >90.0%(GC)
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629-74-3 / hexadec-1-yne

Standard CAS: 629-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
629-74-3
Multi CAS
No
Molecular Formula
C16H30
Molecular Weight
222.410000
Exact Mass
222.234751
InChI
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3
InChIKey
UCIDYSLOTJMRAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.88
Rotatable bonds
12
Molar refractivity
74.53
TPSA
0.0000

LogP / Solubility

WLOGP
5.71
MLOGP
5.03
XLogP3
7.8
Consensus LogP
6.18
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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