千屈菜胺碱
TL;DR: 千屈菜胺碱 (CAS 32420-56-7) is a chemical compound with molecular formula C29H37NO5 and molecular weight 479.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
千屈菜胺碱
[(9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(25),2,4,6(28),22(26),23-hexaen-19-yl] acetate
Also Known As: Lythramine, J2.770.876E, [(9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(25),2,4,6(28),22(26),23-hexaen-19-yl] acetate, (9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.1(2,6).1(9,13).0(12,17)]octacosa-1(26),2(28),3,5,22,24-hexaen-19-yl acetate, (3S,18S,19aR,23R)-4,5,17,18,19,19a,20,21,22,23-Decahydro-12-methoxy-3H,16H-3,23-methano-6,10:11,15-dimethenopyrido[1,2-c][1,3]oxaazacyclohenicosine-9,18-diol 18-acetate
| Molecular Formula | C29H37NO5 |
|---|---|
| Molecular Weight | 479.27 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.26718 |
| Heavy Atoms | 35 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 32420-56-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)CC[C@H]4C[C@H]5CCC[C@H](C1)N5CO4)O |
| InChIKey | YODZWLPSGSZPHZ-NGSHPTGOSA-N |
Product Overview
千屈菜胺碱 (CAS 32420-56-7), with molecular formula C29H37NO5 and molecular weight 479.27 g/mol. IUPAC: [(9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(25),2,4,6(28),22(26),23-hexaen-19-yl] acetate.
Chemical Property Profile of 千屈菜胺碱
Property Insights of 千屈菜胺碱
The XLogP value of 5.6 indicates that 千屈菜胺碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 千屈菜胺碱. Following Lipinski's Rule of Five, 千屈菜胺碱 has 1 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 千屈菜胺碱?
The CAS number of 千屈菜胺碱 is 32420-56-7.
What is the molecular formula of 千屈菜胺碱?
The molecular formula of 千屈菜胺碱 is C29H37NO5.
What is the molecular weight of 千屈菜胺碱?
The molecular weight of 千屈菜胺碱 is 479.27 g/mol.
Where can I buy 千屈菜胺碱?
You can request a quote for 千屈菜胺碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 千屈菜胺碱?
Yes, KEHONG BIO provides custom synthesis services for 千屈菜胺碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.