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CAS 488-41-5 1,6-DIBROMO-1,6-DIDEOXY-D-MANNITOL molecular structure lightbox
CAS RN: 488-41-5

1,6-DIBROMO-1,6-DIDEOXY-D-MANNITOL

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260407 100mg In stock Shanghai Inquiry
Batchno.20251026 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250813 1g In stock Shanghai Inquiry
Batchno.20260403 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250312 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS488-41-5
  • Purity/Analytical Methods: >99.0%
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488-41-5 / 1,6-dibromohexane-2,3,4,5-tetrol

Standard CAS: 488-41-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
488-41-5
Multi CAS
Yes
Molecular Formula
C6H12BR2O4
Molecular Weight
307.960000
Exact Mass
307.908180
InChI
InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2
InChIKey
VFKZTMPDYBFSTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.62
TPSA
80.92

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.67
XLogP3
-0.3
Consensus LogP
-0.58
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

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)
-5.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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