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CAS 22465-48-1 Hydroxocobalamin Acetate molecular structure lightbox
CAS RN: 22465-48-1

Hydroxocobalamin Acetate

Product Availability

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8 package records8 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 1g In stock Inquiry
Batchno.20250619 250mg In stock Inquiry
Batchno.20260215 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 1g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 1g In stock Shanghai Inquiry
Batchno.20260221 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260516 5g In stock Shanghai Inquiry
  • Product code: SSC-109724
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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: 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 22465-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

22465-48-1 / cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,14Z)-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;1-hydroxyethenolate

Standard CAS: 22465-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22465-48-1
Multi CAS
No
Molecular Formula
C64H91CoN13O16P
Molecular Weight
1388.400000
Exact Mass
1387.577629
SMILES
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)C=C8C(C(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.C=C(O)[O-].[Co+3]
InChI
InChI=1S/C62H90N13O14P.C2H4O2.Co/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;1-2(3)4;/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);3-4H,1H2;/q;;+3/p-3
InChIKey
GNTSRIATITTYSO-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
95
Aromatic heavy atom count
9
Fraction Csp3
0.61
Rotatable bonds
26
H-bond acceptors
21
H-bond donors
10
Molar refractivity
343.37
TPSA
508.21

LogP / Solubility

WLOGP
2.69
MLOGP
2.51
XLogP3
2.69
Consensus LogP
2.63
Log S (ESOL)
-8.5
Class (ESOL)
Insoluble
Log S (Ali)
-12.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.04
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)
-9.28

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

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