对映-15-氧代贝壳杉-16-烯-19-酸
TL;DR: 对映-15-氧代贝壳杉-16-烯-19-酸 (CAS 6620-00-4) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对映-15-氧代贝壳杉-16-烯-19-酸
5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Tamoxifen citrate, Diterpene deriv., ent-15-Oxo-16-kauren-19-oic acid, ent-15-Oxo-kaur-16-en-19-oic acid, ent-15-oxokaur-16-en-19-oic acid
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 608.0 |
| Melting Point | 211 - 213 °C |
Chemical Identifiers
| CAS Number | 6620-00-4 |
|---|---|
| SMILES | CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4=O)(C)C(=O)O |
| InChIKey | WQBNGXOJBVBQKP-UHFFFAOYSA-N |
Product Overview
对映-15-氧代贝壳杉-16-烯-19-酸 (CAS 6620-00-4), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: 5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of 对映-15-氧代贝壳杉-16-烯-19-酸
Property Insights of 对映-15-氧代贝壳杉-16-烯-19-酸
The XLogP value of 4.4 indicates that ent-15-Oxo-16-kauren-19-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 对映-15-氧代贝壳杉-16-烯-19-酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ent-15-Oxo-16-kauren-19-oic acid has 1 hydrogen bond donor(s) and 3 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 ent-15-Oxo-16-kauren-19-oic acid?
The CAS number of ent-15-Oxo-16-kauren-19-oic acid is 6620-00-4.
What is the molecular formula of ent-15-Oxo-16-kauren-19-oic acid?
The molecular formula of ent-15-Oxo-16-kauren-19-oic acid is C20H28O3.
What is the molecular weight of ent-15-Oxo-16-kauren-19-oic acid?
The molecular weight of ent-15-Oxo-16-kauren-19-oic acid is 316.20 g/mol.
Where can I buy ent-15-Oxo-16-kauren-19-oic acid?
You can request a quote for ent-15-Oxo-16-kauren-19-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-15-Oxo-16-kauren-19-oic acid?
Yes, KEHONG BIO provides custom synthesis services for ent-15-Oxo-16-kauren-19-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.