CAS RN: 109784-74-9
(6S)-5,6,7,8-TETRAHYDRO-L-BIOPTERIN SULFATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 10mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS109784-74-9
- Purity/Analytical Methods: >99.0%
109784-74-9 / (6S)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;sulfuric acid
(6s)-5,6,7,8-tetrahydro-l-biopterin sulfate | (S)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(1H)-one sulfate(1:x) | (6S)-Tetrahydro-L-biopterin Disulfate, >80%
Basic Information
CAS
109784-74-9
Multi CAS
Yes
Molecular Formula
C9H17N5O7S
Molecular Weight
339.330000
Exact Mass
339.084869
SMILES
C[C@@H]([C@@H]([C@@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O.OS(=O)(=O)O
InChI
InChI=1S/C9H15N5O3.H2O4S/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;1-5(2,3)4/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);(H2,1,2,3,4)/t3-,4-,6-;/m0./s1
InChIKey
YCBVHESKFWFUMG-NXYGYYFTSA-N
Synonyms
(6s)-5,6,7,8-tetrahydro-l-biopterin sulfate
(S)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(1H)-one sulfate(1:x)
(6S)-Tetrahydro-L-biopterin Disulfate, >80%
4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-, [6S-[6R*(1S*,2R*)]]-, sulfate (1:1) (salt) (9CI); (6S)-Tetrahydro-L-biopterin disulfate; (6S)-Tetrahydro-L-biopterin sulfate
Sepiapterin Impurity 8
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
8
Molar refractivity
77.04
TPSA
210.89
LogP / Solubility
WLOGP
-2.35
MLOGP
-2.05
XLogP3
-2.35
Consensus LogP
-2.25
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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