[email protected]
CAS 26560-38-3 Calcium N5-methyltetrahydrofolate molecular structure lightbox
CAS RN: 26560-38-3

Calcium N5-methyltetrahydrofolate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 5mg / 10mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS26560-38-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26560-38-3 / calcium 2-[[4-[(2-amino-5-methyl-4-oxo-1,2,3,4a,6,7,8,8a-octahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

Standard CAS: 26560-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26560-38-3
Multi CAS
No
Molecular Formula
C20H27CaN7O6
Molecular Weight
501.500000
Exact Mass
501.164873
SMILES
CN1C(CNC2C1C(=O)NC(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
InChI
InChI=1S/C20H25N7O6.Ca/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12?,13-;/m0./s1
InChIKey
VWBBRFHSPXRJQD-ZEDZUCNESA-L

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
6
Molar refractivity
117.57
TPSA
203.81

LogP / Solubility

WLOGP
-5.34
MLOGP
-4.67
XLogP3
-5.34
Consensus LogP
-5.12
Log S (ESOL)
0.88
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.44
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us