[email protected]
CAS 194041-65-1 Sulpho NHS biotin molecular structure lightbox
CAS RN: 194041-65-1

Sulpho NHS biotin

Product Availability

Choose a grade to view its available package options.

5 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250817 100mg Out of stock Inquiry
Batchno.20250723 10mg Out of stock Inquiry
Batchno.20260617 25mg Out of stock Inquiry
Batchno.20250412 50mg Out of stock Inquiry
Batchno.20250602 5mg Out of stock Inquiry
  • Product code: starshine_CAS194041-65-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

194041-65-1 / sodium 1-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate

Standard CAS: 194041-65-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
194041-65-1
Multi CAS
No
Molecular Formula
C14H18N3NaO8S2
Molecular Weight
443.400000
Exact Mass
443.043301
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+]
InChI
InChI=1S/C14H19N3O8S2.Na/c18-10-5-9(27(22,23)24)13(20)17(10)25-11(19)4-2-1-3-8-12-7(6-26-8)15-14(21)16-12;/h7-9,12H,1-6H2,(H2,15,16,21)(H,22,23,24);/q;+1/p-1/t7-,8-,9?,12-;/m0./s1
InChIKey
DREOJRVDBCALEG-WCYHLEDJSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
2
Molar refractivity
90
TPSA
162.01

LogP / Solubility

WLOGP
-4.15
MLOGP
-3.63
XLogP3
-4.15
Consensus LogP
-3.98
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly 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)
-8.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us