[ CAS No. 23541-50-6 ] {[proInfo.proName]}

Name: 23541-50-6|(8S,10S)-8-Acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride|98%
Brand: Ambeed
SKU: A148164
Rating: 90 (27 reviews)

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Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 23541-50-6 * Storage: {[proInfo.prStorage]}

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* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 23541-50-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 23541-50-6 ]

SDS Specification

Alternatived Products of [ 23541-50-6 ]

Product Details of [ 23541-50-6 ]

CAS No. :	23541-50-6	MDL No. :	MFCD04974507
Formula :	C₂₇H₃₀ClNO₁₀	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GUGHGUXZJWAIAS-QQYBVWGSSA-N
M.W :	563.98	Pubchem ID :	62770
Synonyms :	Daunomycin hydrochloride;RP 13057 hydrochloride;RP 13057;Ondena;NDC 0082-4155;Daunorubicin (hydrochloride);RP 13057 HCl;Rubidomycin HCl;Daunorubicin HCl;Rubidomycin hydrochloride

Calculated chemistry of [ 23541-50-6 ]

Physicochemical Properties

Num. heavy atoms :	39
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.44
Num. rotatable bonds :	4
Num. H-bond acceptors :	11.0
Num. H-bond donors :	5.0
Molar Refractivity :	138.47
TPSA :	185.84 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.63
Log Po/w (WLOGP) :	1.51
Log Po/w (MLOGP) :	-1.15
Log Po/w (SILICOS-IT) :	1.77
Consensus Log Po/w :	0.95

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-4.96
Solubility :	0.00622 mg/ml ; 0.000011 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.18
Solubility :	0.00037 mg/ml ; 0.000000656 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-4.04
Solubility :	0.0516 mg/ml ; 0.0000914 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	5.84

Safety of [ 23541-50-6 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P281-P301+P310	UN#:	2811
Hazard Statements:	H301-H334-H351	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 23541-50-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 23541-50-6 ]
Downstream synthetic route of [ 23541-50-6 ]

[ 23541-50-6 ] Synthesis Path-Upstream 1~11

1
[ 110925-43-4 ]
[ 553-53-7 ]
[ 23541-50-6 ]