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CAS 13422-55-4 Mecobalamin molecular structure lightbox
CAS RN: 13422-55-4

Mecobalamin

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251231 100mg In stock Hebei Inquiry
Batchno.20251030 1g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20251130 25g Out of stock 1 business days Inquiry
Batchno.20251216 500mg In stock Shanghai, Shandong Inquiry
Batchno.20260613 5g In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250512 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250907 25g In stock Shanghai Inquiry
Batchno.20260507 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-041678
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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: ≥97%
  • 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 13422-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

13422-55-4 / carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,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-24-id-3-yl]propanoylamino]propan-2-yl phosphate

Standard CAS: 13422-55-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13422-55-4
Multi CAS
No
Molecular Formula
C63H91CoN13O14P
Molecular Weight
1344.400000
Exact Mass
1343.587800
SMILES
[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]
InChI
InChI=1S/C62H90N13O14P.CH3.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;;/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);1H3;/q;-1;+3/p-2
InChIKey
ZFLASALABLFSNM-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
92
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
26
H-bond acceptors
19
H-bond donors
9
Molar refractivity
338.02
TPSA
464.92

LogP / Solubility

WLOGP
3.76
MLOGP
3.45
XLogP3
3.76
Consensus LogP
3.66
Log S (ESOL)
-8.9
Class (ESOL)
Insoluble
Log S (Ali)
-13.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.64
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)
-8.25

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 8 of 8 companies. For more detailed information, please visit ECHA C&L website.

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