Retinoyl Chloride - CAS 53839-60-4

Catalog:	BB076640
Product Name:	Retinoyl Chloride
CAS:	53839-60-4
Synonyms:	3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoyl Chloride;All-trans-Retinoyl Chloride; Retinoic Acid Chloride; Vitamin A Acid Chloride

Technical Data

IUPAC Name:	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl chloride
Description:	Retinoyl Chloride is used to synthesize retinyl ascorbate (RA-AsA) which is a co-drug for the purpose of treating damage to skin resulting from UV-induced production of free radicals.
Molecular Weight:	318.88
Molecular Formula:	C20H27ClO
Canonical SMILES:	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Cl)C)C
InChI:	InChI=1S/C20H27ClO/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+
InChI Key:	OBWAFSRXIGEEKA-YCNIQYBTSA-N
References:	Abdulmajed, K., et al. Int. J. Pharma., 280, 113 (2004).

Complexity:	569
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	4
Exact Mass:	318.1750432
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	318.1750432
Rotatable Bond Count:	5
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.3