Dutasteride Impurity 49
TL;DR: Dutasteride Impurity 49 (CAS 76763-14-9) is a chemical compound with molecular formula C19H28O5 and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid
Also Known As: Dutasteride Impurity 49, Finasteride Impurity 28, Progesterone Impurity 55, 17?-Carboxy-5-oxo-A-nor-3,5-secoandrostan-3-oic Acid, 17I(2)-Carboxy-5-oxo-A-nor-3,5-secoandrostan-3-oic acid
| Molecular Formula | C19H28O5 |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.19366 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 76763-14-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC(=O)[C@]3(C)CCC(=O)O |
| InChIKey | SXMYTVFDBSFKNU-UUBMZHIOSA-N |
Product Overview
Dutasteride Impurity 49 (CAS 76763-14-9), with molecular formula C19H28O5 and molecular weight 336.19 g/mol. IUPAC: (3S,3aS,5aS,6R,9aS,9bS)-6-(2-carboxyethyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3-carboxylic acid.
Chemical Property Profile of Dutasteride Impurity 49
Property Insights of Dutasteride Impurity 49
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dutasteride Impurity 49. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dutasteride Impurity 49. Following Lipinski's Rule of Five, Dutasteride Impurity 49 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dutasteride Impurity 49?
The CAS number of Dutasteride Impurity 49 is 76763-14-9.
What is the molecular formula of Dutasteride Impurity 49?
The molecular formula of Dutasteride Impurity 49 is C19H28O5.
What is the molecular weight of Dutasteride Impurity 49?
The molecular weight of Dutasteride Impurity 49 is 336.19 g/mol.
Where can I buy Dutasteride Impurity 49?
You can request a quote for Dutasteride Impurity 49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dutasteride Impurity 49?
Yes, KEHONG BIO provides custom synthesis services for Dutasteride Impurity 49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.