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CAS 1000414-38-9 (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate molecular structure lightbox
CAS RN: 1000414-38-9

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000191
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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
  • 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 1000414-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1000414-38-9 / methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate

1000414-38-9 | (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate | methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate

Standard CAS: 1000414-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000414-38-9
Multi CAS
Yes
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
SMILES
COC(=O)C[C@@H]1COC2=C1C=CC(=C2)O
InChI
InChI=1S/C11H12O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-3,5,7,12H,4,6H2,1H3/t7-/m1/s1
InChIKey
RHMDISFJOKCCAQ-SSDOTTSWSA-N
Synonyms
1000414-38-9 (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate MFCD20488619 3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.98
TPSA
55.76

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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