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CAS 16150-45-1 Diethyl cromoglycate molecular structure lightbox
CAS RN: 16150-45-1

Diethyl cromoglycate

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250729 1g Out of stock Inquiry
Batchno.20250916 250mg In stock Shanghai Inquiry
Batchno.20260613 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS16150-45-1
  • Purity/Analytical Methods: >99.0%
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16150-45-1 / ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate

Standard CAS: 16150-45-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16150-45-1
Multi CAS
No
Molecular Formula
C27H24O11
Molecular Weight
524.500000
Exact Mass
524.131862
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)O
InChI
InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3
InChIKey
KRBBSLDXYDBFEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
20
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
1
Molar refractivity
133.88
TPSA
151.71

LogP / Solubility

WLOGP
3.07
MLOGP
2.74
XLogP3
3.3
Consensus LogP
3.04
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
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)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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