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CAS 629-38-9 Methyl carbitol acetate molecular structure lightbox
CAS RN: 629-38-9

Methyl carbitol acetate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS629-38-9
  • Purity/Analytical Methods: >99.0%
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629-38-9 / 2-(2-methoxyethoxy)ethyl acetate

Standard CAS: 629-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
629-38-9
Multi CAS
Yes
Molecular Formula
C7H14O4
Molecular Weight
162.180000
Exact Mass
162.089209
InChI
InChI=1S/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3
InChIKey
BJINVQNEBGOMCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
39.33
TPSA
44.76

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.06
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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