[email protected]
CAS 98195-36-9 1-BROMOBUTANE-D9 molecular structure lightbox
CAS RN: 98195-36-9

1-BROMOBUTANE-D9

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS98195-36-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

98195-36-9 / 1-bromo-1,1,2,2,3,3,4,4,4-nonadeuteriobutane

Standard CAS: 98195-36-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98195-36-9
Multi CAS
Yes
Molecular Formula
C4H9BR
Molecular Weight
146.070000
Exact Mass
145.045250
InChI
InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2
InChIKey
MPPPKRYCTPRNTB-YNSOAAEFSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
28.7
TPSA
0.0000

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.8
Consensus LogP
2.3
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us