CAS RN: 69304-16-1
L-ARGININE 7-AMIDO-4-METHYLCOUMARIN DIHYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS69304-16-1
- Purity/Analytical Methods: >99.0%
69304-16-1 / (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
Basic Information
CAS
69304-16-1
Multi CAS
Yes
Molecular Formula
C16H22CLN5O3
Molecular Weight
367.800000
Exact Mass
367.141117
InChI
InChI=1S/C16H21N5O3.ClH/c1-9-7-14(22)24-13-8-10(4-5-11(9)13)21-15(23)12(17)3-2-6-20-16(18)19;/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,21,23)(H4,18,19,20);1H/t12-;/m0./s1
InChIKey
PFLMUQNBZRXRHD-YDALLXLXSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
100.98
TPSA
149.73
LogP / Solubility
WLOGP
0.84
MLOGP
0.76
XLogP3
0.84
Consensus LogP
0.81
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
3′,5′-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)uridine
- CAS RN: 69304-38-7
- Product Code: SSC-178939
-
3′,5′-O-(1,1,3,3-Tetraisopropyl-1,3-disiloxanediyl)guanosine
- CAS RN: 69304-44-5
- Product Code: starshine_CAS69304-44-5
- Purity/Analytical method: >99.0%
-
isopropanyl 2,4-dichloropyriMidine-5-carboxylate
- CAS RN: 69312-43-2
- Product Code: SSC-178947
-
-
-
3-(5-CHLORO-2-METHOXY-PHENYL)-3-OXO-PROPIONITRILE
- CAS RN: 69316-10-5
- Product Code: starshine_CAS69316-10-5
- Purity/Analytical method: >99.0%
