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CAS 13422-51-0 Hydroxocobalamin molecular structure lightbox
CAS RN: 13422-51-0

Hydroxocobalamin

Product Availability

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5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250811 100mg Out of stock Inquiry
Batchno.20251108 10mg Out of stock Inquiry
Batchno.20250724 25mg Out of stock Inquiry
Batchno.20260424 50mg Out of stock Inquiry
Batchno.20260405 5mg Out of stock Inquiry
  • Product code: SSC-041677
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13422-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

13422-51-0 / cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate;hydroxide

Standard CAS: 13422-51-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13422-51-0
Multi CAS
No
Molecular Formula
C62H89CoN13O15P
Molecular Weight
1346.400000
Exact Mass
1345.567065
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[OH-].[Co+3]
InChI
InChI=1S/C62H90N13O14P.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);;1H2/q;+3;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey
YOZNUFWCRFCGIH-WZHZPDAFSA-K

Physical Properties

Melting Point
200 °C (decomposes)
Physical Description
Dark red solid; [Merck Index] Odorless or with a slight odor of acetone; [HSDB] Solid
Appearance
Dark red, orthorhombic needles or platelets from water and acetone DARK RED CRYSTALS OR RED CRYSTALLINE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
92
Aromatic heavy atom count
9
Fraction Csp3
0.63
Rotatable bonds
26
H-bond acceptors
20
H-bond donors
9
Molar refractivity
333.54
TPSA
494.92

LogP / Solubility

WLOGP
3.14
MLOGP
2.9
XLogP3
3.14
Consensus LogP
3.06
Log S (ESOL)
-8.52
Class (ESOL)
Insoluble
Log S (Ali)
-12.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-8.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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