[email protected]
CAS 58288-50-9 HYDROXOCOBALAMIN HYDROCHLORIDE molecular structure lightbox
CAS RN: 58288-50-9

HYDROXOCOBALAMIN HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 100mg In stock Shanghai Inquiry
Batchno.20250317 10g In stock Shanghai Inquiry
Batchno.20250807 1g In stock Shanghai Inquiry
Batchno.20250617 250mg In stock Shanghai Inquiry
Batchno.20250620 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS58288-50-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

58288-50-9 / [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[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-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

Standard CAS: 58288-50-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58288-50-9
Multi CAS
Yes
Molecular Formula
C62H90N13O14P
Molecular Weight
1272.400000
Exact Mass
1271.646782
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/q;;+2;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1
InChIKey
BBQILPBAMXKFOB-BXSGNKEGSA-L

Computed Properties

Structural Parameters

Heavy atom count
90
Aromatic heavy atom count
9
Fraction Csp3
0.63
Rotatable bonds
26
H-bond acceptors
19
H-bond donors
11
Molar refractivity
333.6
TPSA
460.02

LogP / Solubility

WLOGP
3.16
MLOGP
2.91
XLogP3
-3.9
Consensus LogP
0.72
Log S (ESOL)
-8.08
Class (ESOL)
Insoluble
Log S (Ali)
-12.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.68
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)
-8.24

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

Customers Also Viewed

Get In Touch

Contact Us