[email protected]
CAS 8029-68-3 ICHTHAMMOL molecular structure lightbox
CAS RN: 8029-68-3

ICHTHAMMOL

  • Product code: BeautyPersonalHomeCare-6669
GET A QUOTE

8029-68-3 / hydroxyurea

Standard CAS: 8029-68-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
8029-68-3
Multi CAS
Yes
Molecular Formula
CH4N2O2
Molecular Weight
76.055000
Exact Mass
76.027277
InChI
InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChIKey
VSNHCAURESNICA-UHFFFAOYSA-N

Physical Properties

Melting Point
291 to 295 °F (decomposes) (NTP, 1992) 133-136 141 °C MP: 133-136 °C. Somewhat hygroscopic 142 - 146 °C
Boiling Point
Decomposes (NTP, 1992) Decomposes
Physical Description
Hydroxyurea appears as odorless or almost odorless white to off-white crystalline solid. Tasteless. (NTP, 1992) Solid
Appearance
Needles from alcohol White, crystalline powder Needles from ethanol, crystals in 2 forms
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
14.51
TPSA
75.35

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.86
XLogP3
-1.8
Consensus LogP
-1.21
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.64
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.86

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

Customers Also Viewed

Get In Touch

Contact Us