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CAS 59461-30-2 hydroxocobalamin monohydrochloride molecular structure lightbox
CAS RN: 59461-30-2

hydroxocobalamin monohydrochloride

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 10mg In stock Shanghai, Shandong Inquiry
Batchno.20250310 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS59461-30-2
  • Purity/Analytical Methods: >99.0%
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59461-30-2 / cobalt

Standard CAS: 59461-30-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59461-30-2
Multi CAS
Yes
Molecular Formula
CO
Molecular Weight
58.933190
Exact Mass
58.933194
InChI
InChI=1S/C62H90N13O14P.ClH.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H;;1H2/p-2/t31-,34+,35+,36+,37-,41+,52+,53+,56?,57-,59+,60-,61-,62-;;;/m0.../s1
InChIKey
OEGGHHRIXREIDK-CFPWVHPHSA-L

Physical Properties

Melting Point
2723 °F (NTP, 1992) 1,495 °C 1493 °C 2719 °F
Boiling Point
5198 °F at 760 mmHg (NTP, 1992) 2,927 °C 2870 °C 5612 °F
Density
8.9 at 68 °F (NTP, 1992) - Denser than water; will sink 8.9 g/cu cm at 20 °C 8.9 g/cm³ 8.92
Physical Description
Cobalt appears as a black powder. Dry Powder, Pellets or Large Crystals; Dry Powder, Pellets or Large Crystals, Other Solid; Dry Powder; Water or Solvent Wet Solid; Other Solid; Dry Powder, Other Solid Odorless, silver-gray to black solid; [NIOSH] SILVER-GREY POWDER. Odorless, silver-gray to black solid.
Appearance
Gray metal, hexagonal or cubic Silvery bluish-white metal Gray, hard, magnetic, ductile, somewhat malleable metal Steel-gray, shining, hard, ductile Face centered cubic above approximately 417 °C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
1
TPSA
0.0000

LogP / Solubility

MLOGP
-0.02
Consensus LogP
-0.01
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very 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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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