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CAS 1380792-92-6 (S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetic acid molecular structure lightbox
CAS RN: 1380792-92-6

(S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1380792-92-6
  • Purity/Analytical Methods: >99.0%
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1380792-92-6 / 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Standard CAS: 1380792-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1380792-92-6
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
SMILES
C1[C@H](C2=C(O1)C=C(C=C2)O)CC(=O)O
InChI
InChI=1S/C10H10O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4,6,11H,3,5H2,(H,12,13)/t6-/m1/s1
InChIKey
XGXRWHAYNFAHBM-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.6
TPSA
66.76

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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