[email protected]
CAS 9031-72-5 Alcohol-dehydrogenase from Yeast [for Blood alcohol-test] molecular structure lightbox
CAS RN: 9031-72-5

Alcohol-dehydrogenase from Yeast [for Blood alcohol-test]

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250727 1.5KU / 5KU / 25KU / 100KU Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250616 Contact us Confirm by inquiry Inquiry
  • Product code: ICTA0200
GET A QUOTE

9031-72-5 / [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxodocosa-7,10,13,16,19-pentaenoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

Standard CAS: 9031-72-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
9031-72-5
Multi CAS
Yes
Molecular Formula
C43H62N7O18P3S-4
Molecular Weight
1090.000000
Exact Mass
1089.308490
InChI
InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4
InChIKey
SLYKKQSPRFJDAF-UHFFFAOYSA-J

Physical Properties

Physical Description
Beige powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
34
H-bond acceptors
24
H-bond donors
5
Molar refractivity
256.16
TPSA
392.02

LogP / Solubility

WLOGP
2.02
MLOGP
1.88
XLogP3
-0.3
Consensus LogP
1.2
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.94

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us