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CAS 1185255-99-5 2-Desethoxy-2-hydroxy-1H-1-Ethyl Candesartan Cilexetil molecular structure lightbox
CAS RN: 1185255-99-5

2-Desethoxy-2-hydroxy-1H-1-Ethyl Candesartan Cilexetil

  • Product code: SSC-018340
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185255-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1185255-99-5 / 1-cyclohexyloxycarbonyloxyethyl 3-[[4-[2-(1-ethyltetrazol-5-yl)phenyl]phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate

2-Desethoxy-2-hydroxy-1H-1-Ethyl Candesartan Cilexetil | 2-Desethoxy-2-oxo-1H-1-ethyl candesartan cilexetil | N2-Ethyl candesartan cilexetilc

Standard CAS: 1185255-99-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185255-99-5
Multi CAS
Yes
Molecular Formula
C33H34N6O6
Molecular Weight
610.700000
Exact Mass
610.253983
SMILES
CCN1C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C=CC=C5NC4=O)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI
InChI=1S/C33H34N6O6/c1-3-39-30(35-36-37-39)26-13-8-7-12-25(26)23-18-16-22(17-19-23)20-38-29-27(14-9-15-28(29)34-32(38)41)31(40)43-21(2)44-33(42)45-24-10-5-4-6-11-24/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,34,41)
InChIKey
DEGBAMTUFHKMQR-UHFFFAOYSA-N
Synonyms
2-Desethoxy-2-hydroxy-1H-1-Ethyl Candesartan Cilexetil 2-Desethoxy-2-oxo-1H-1-ethyl candesartan cilexetil N2-Ethyl candesartan cilexetilc Candesartan Cilexetil Impurity C 2-Desethyl-1H-1-ethyl candesartan cilexetil

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
26
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
1
Molar refractivity
165.34
TPSA
143.22

LogP / Solubility

WLOGP
5.71
MLOGP
5.07
XLogP3
6
Consensus LogP
5.59
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39

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
6

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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