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CAS 1103738-30-2 (4-Chloro-3-(4-ethoxybenzyl)phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone molecular structure lightbox
CAS RN: 1103738-30-2

(4-Chloro-3-(4-ethoxybenzyl)phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 10g In stock Shanghai Inquiry
Batchno.20250315 1g In stock Shanghai Inquiry
Batchno.20260523 250mg In stock Shanghai Inquiry
Batchno.20260101 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-011461
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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: 1g, 5g
  • Available purity: ＞97%
  • 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 1103738-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1103738-30-2 / [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone

(4-chloro-3-(4-ethoxybenzyl)phenyl)((3as,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone | (5S)-1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-D-xylo-pentodialdo-5,2-furanose | [4-Chloro-3-(4-ethoxybenzyl)phenyl][(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanone

Standard CAS: 1103738-30-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1103738-30-2
Multi CAS
Yes
Molecular Formula
C23H25ClO6
Molecular Weight
432.900000
Exact Mass
432.133966
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)[C@H]3[C@H]([C@H]4[C@@H](O3)OC(O4)(C)C)O)Cl
InChI
InChI=1S/C23H25ClO6/c1-4-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)24)18(25)20-19(26)21-22(28-20)30-23(2,3)29-21/h5-10,12,19-22,26H,4,11H2,1-3H3/t19-,20+,21+,22+/m1/s1
InChIKey
TUBVOYXRJBKZBN-MLNNCEHLSA-N
Synonyms
(4-chloro-3-(4-ethoxybenzyl)phenyl)((3as,5r,6s,6as)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanone (5S)-1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-O-(1-methylethylidene)-D-xylo-pentodialdo-5,2-furanose [4-Chloro-3-(4-ethoxybenzyl)phenyl][(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanone (4-Chloro-3-(4-ethoxybenzyl)phenyl)((3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro(2,3-d)(1,3)dioxol-5-yl)methanone (5S)-1-C-(4-Chloro-3-((4-ethoxyphenyl)methyl)phenyl)-4,5-O-(1-methylethylidene)-D-xylo-pentodialdo-5,2-furanose

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
110.9
TPSA
74.22

LogP / Solubility

WLOGP
3.75
MLOGP
3.33
XLogP3
4.5
Consensus LogP
3.86
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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