[email protected]
CAS 106451-92-7 6-N-BIOTINYLAMINOHEXANOL molecular structure lightbox
CAS RN: 106451-92-7

6-N-BIOTINYLAMINOHEXANOL

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260624 100mg In stock Shanghai Inquiry
Batchno.20250108 1g In stock Shanghai Inquiry
Batchno.20251130 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS106451-92-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

106451-92-7 / N-(6-hydroxyhexyl)-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide

6-N-Biotinylaminohexanol

Standard CAS: 106451-92-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106451-92-7
Multi CAS
Yes
Molecular Formula
C16H29N3O3S
Molecular Weight
343.500000
Exact Mass
343.192963
SMILES
C1C2C([C@@H](S1)CCCCC(=O)NCCCCCCO)NC(=O)N2
InChI
InChI=1S/C16H29N3O3S/c20-10-6-2-1-5-9-17-14(21)8-4-3-7-13-15-12(11-23-13)18-16(22)19-15/h12-13,15,20H,1-11H2,(H,17,21)(H2,18,19,22)/t12?,13-,15?/m0/s1
InChIKey
NUCYJOAYBYFSDA-OWYJLGKBSA-N
Synonyms
6-N-Biotinylaminohexanol

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.88
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
4
Molar refractivity
92.52
TPSA
90.46

LogP / Solubility

WLOGP
1.38
MLOGP
1.23
XLogP3
0.8
Consensus LogP
1.14
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us