CAS RN: 151009-85-7

biotin-cysteine

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251022 100mg In stock Shanghai Inquiry
Batchno.20260518 1g In stock Shanghai Inquiry
Batchno.20250301 250mg In stock Shanghai Inquiry
Batchno.20260112 25mg In stock Shanghai Inquiry
Batchno.20250912 25mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20250210 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS151009-85-7
  • Purity/Analytical Methods: >99.0%
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151009-85-7 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid

Standard CAS: 151009-85-7 Multi CAS: No

Basic Information

CAS
151009-85-7
Multi CAS
No
Molecular Formula
C13H23N3O5S2
Molecular Weight
365.500000
Exact Mass
365.107913
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2.C([C@@H](C(=O)O)N)S
InChI
InChI=1S/C10H16N2O3S.C3H7NO2S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9;4-2(1-7)3(5)6/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15);2,7H,1,4H2,(H,5,6)/t6-,7-,9-;2-/m00/s1
InChIKey
GJCQPPUOAYPVRE-PPINCWRJSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.77
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
6
Molar refractivity
91.06
TPSA
141.75

LogP / Solubility

WLOGP
0.12
MLOGP
0.13
XLogP3
0.12
Consensus LogP
0.12
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-4.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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