17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione
TL;DR: 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione (CAS 5070-88-2) is a chemical compound with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-17-azido-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: KST-1A5288, 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione, 17-Azido-3,16-dihydroxypregnane-11,20-dione, (3, A,5
| Molecular Formula | C21H31N3O4 |
|---|---|
| Molecular Weight | 389.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.23145 |
| Heavy Atoms | 28 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 5070-88-2 |
|---|---|
| SMILES | CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)N=[N+]=[N-] |
| InChIKey | DIEUKTMUMCPTRI-KVHDYMSOSA-N |
Product Overview
17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione (CAS 5070-88-2), with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol. IUPAC: (3S,5S,8S,9S,10S,13S,14S,16R,17S)-17-acetyl-17-azido-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione
Property Insights of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione
The XLogP value of 3.6 indicates that 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione. Following Lipinski's Rule of Five, 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione has 2 hydrogen bond donor(s) and 6 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 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione?
The CAS number of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione is 5070-88-2.
What is the molecular formula of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione?
The molecular formula of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione is C21H31N3O4.
What is the molecular weight of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione?
The molecular weight of 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione is 389.23 g/mol.
Where can I buy 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione?
You can request a quote for 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-Azido-3beta,16alpha-dihydroxy-5alpha-pregnane-11,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.