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CAS 47707-78-8 Folic Acid Impurity C molecular structure lightbox
CAS RN: 47707-78-8

Folic Acid Impurity C

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Batchno.20260124 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS47707-78-8
  • Purity/Analytical Methods: >99.0%
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47707-78-8 / (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Standard CAS: 47707-78-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
47707-78-8
Multi CAS
Yes
Molecular Formula
C19H19N7O6
Molecular Weight
441.400000
Exact Mass
441.139681
InChI
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)22-8-11(23-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,23,25,26,30)/t12-/m0/s1
InChIKey
AGSJDPWOEUMTCN-LBPRGKRZSA-N

Physical Properties

Melting Point
482 °F (decomposes) (NTP, 1992) 250 °C
Physical Description
Folic acid appears as odorless orange-yellow needles or platelets. Darkens and chars from approximately 482 °F. Yellowish-orange solid; [Merck Index] Yellow solid; Solid
Appearance
Yellowish-orange crystals; extremely thin platelets (elongated @ 2 ends) from hot water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
6
Molar refractivity
111.89
TPSA
213.28

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.01
XLogP3
-1.1
Consensus LogP
-0.38
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-5.44

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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