CAS RN: 1633-56-3
FORMIC-13C ACID
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS1633-56-3
- Purity/Analytical Methods: >99.0%
1633-56-3 / hydroxyformaldehyde
Basic Information
CAS
1633-56-3
Multi CAS
No
Molecular Formula
CH2O2
Molecular Weight
47.018000
Exact Mass
47.008834
SMILES
[13CH](=O)O
InChI
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1+1
InChIKey
BDAGIHXWWSANSR-OUBTZVSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
8.69
TPSA
37.3
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.28
XLogP3
-0.2
Consensus LogP
-0.26
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly 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)
-3.21
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
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
