[email protected]
CAS 1183-35-3 DIHYDROOUABAIN molecular structure lightbox
CAS RN: 1183-35-3

DIHYDROOUABAIN

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260609 10mg In stock Inquiry
Batchno.20250809 50mg In stock Inquiry
Batchno.20250308 5mg Out of stock Inquiry
  • Product code: starshine_CAS1183-35-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1183-35-3 / 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one

SCHEMBL412984 | DB-041396 | NS00044760

Standard CAS: 1183-35-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1183-35-3
Multi CAS
Yes
Molecular Formula
C29H46O12
Molecular Weight
586.700000
Exact Mass
586.298927
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6CC(=O)OC6)O)CO)O)O)O)O
InChI
InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
InChIKey
ZTFGOPUOTATSAL-CFVDWFIMSA-N
Synonyms
SCHEMBL412984 DB-041396 NS00044760

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.97
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
8
Molar refractivity
138.62
TPSA
206.6

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.22
XLogP3
-1.2
Consensus LogP
-1.29
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.32

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
10

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (95%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (97.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us