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CAS 4033-27-6 DIHYDROFOLIC ACID molecular structure lightbox
CAS RN: 4033-27-6

DIHYDROFOLIC ACID

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: starshine_CAS4033-27-6
  • Purity/Analytical Methods: >99.0%
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4033-27-6 / (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Standard CAS: 4033-27-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4033-27-6
Multi CAS
Yes
Molecular Formula
C19H21N7O6
Molecular Weight
443.400000
Exact Mass
443.155331
InChI
InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
InChIKey
OZRNSSUDZOLUSN-LBPRGKRZSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
7
Molar refractivity
115.55
TPSA
211.89

LogP / Solubility

WLOGP
0.01
MLOGP
0.04
XLogP3
-0.9
Consensus LogP
-0.28
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-5.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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