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CAS 61125-53-9 H-LYS(BIOTINYL)-NH2 molecular structure lightbox
CAS RN: 61125-53-9

H-LYS(BIOTINYL)-NH2

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS61125-53-9
  • Purity/Analytical Methods: >99.0%
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61125-53-9 / (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanamide

Standard CAS: 61125-53-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61125-53-9
Multi CAS
Yes
Molecular Formula
C16H29N5O3S
Molecular Weight
371.500000
Exact Mass
371.199111
InChI
InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1
InChIKey
BFTIPPVTTJTHLM-MNXVOIDGSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.81
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
5
Molar refractivity
97.99
TPSA
139.34

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.15
XLogP3
-0.8
Consensus LogP
-0.38
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-5.12

Drug-likeness / Medicinal Chemistry

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

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