12-Azidocalanolide B
TL;DR: 12-Azidocalanolide B (CAS 183791-91-5) is a chemical compound with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16S,17R,18S)-18-azido-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Also Known As: 12-Azidocalanolide B, Calanolide B deriv., azido-tetramethyl-propyl-[?]one, 2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 12-azido-11,12-dihydro-6,6,10,11-tetramethyl-4-propyl-, (10S-(10alpha,11beta,12beta))-, (10S)-11,12-Dihydro-12alpha-azido-4-propyl-6,6,10beta,11alpha-tetramethyl-2H,6H,10H-benzo[1,2-b:3,4-b :5,6-b ]tripyran-2-one
| Molecular Formula | C22H25N3O4 |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1845 |
| Heavy Atoms | 29 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 183791-91-5 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@@H](O4)C)C)N=[N+]=[N-] |
| InChIKey | ZMTGNGKSHYMMGE-PZROIBLQSA-N |
Product Overview
12-Azidocalanolide B (CAS 183791-91-5), with molecular formula C22H25N3O4 and molecular weight 395.18 g/mol. IUPAC: (16S,17R,18S)-18-azido-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one.
Chemical Property Profile of 12-Azidocalanolide B
Property Insights of 12-Azidocalanolide B
The XLogP value of 5.6 indicates that 12-Azidocalanolide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 12-Azidocalanolide B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Azidocalanolide B has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Azidocalanolide B?
The CAS number of 12-Azidocalanolide B is 183791-91-5.
What is the molecular formula of 12-Azidocalanolide B?
The molecular formula of 12-Azidocalanolide B is C22H25N3O4.
What is the molecular weight of 12-Azidocalanolide B?
The molecular weight of 12-Azidocalanolide B is 395.18 g/mol.
Where can I buy 12-Azidocalanolide B?
You can request a quote for 12-Azidocalanolide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Azidocalanolide B?
Yes, KEHONG BIO provides custom synthesis services for 12-Azidocalanolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.