CAS RN: 59695-59-9
Cephalexin (hydrochloride)
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS59695-59-9
- Purity/Analytical Methods: >99.0%
59695-59-9 / (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
Basic Information
CAS
59695-59-9
Multi CAS
Yes
Molecular Formula
C16H18CLN3O4S
Molecular Weight
383.900000
Exact Mass
383.070655
InChI
InChI=1S/C16H17N3O4S.ClH/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H/t10-,11-,15-;/m1./s1
InChIKey
LSBUIZREQYVRSY-CYJZLJNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.98
TPSA
112.73
LogP / Solubility
WLOGP
0.87
MLOGP
0.78
XLogP3
0.87
Consensus LogP
0.84
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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1-Propanol,3-[(1,1-dimethylethyl)amino]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]-oxy]-
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- Product Code: starshine_CAS59697-06-2
- Purity/Analytical method: >99.0%
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![CAS 59697-06-2 1-Propanol,3-[(1,1-dimethylethyl)amino]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]-oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59697-06-2.gif)
