NCI60_002891
TL;DR: NCI60_002891 (CAS 62393-88-8) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Also Known As: NCI60_002891, (2Z,6R)-6-[(3AR,6S,7S,9AS,9BS)-6-(2-CARBOXYETHYL)-3A,6,9B-TRIMETHYL-7-(PROP-1-EN-2-YL)-1H,2H,3H,4H,7H,8H,9H,9AH-CYCLOPENTA[A]NAPHTHALEN-3-YL]-2-METHYLHEPT-2-ENOIC ACID, (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
| Molecular Formula | C30H46O4 |
|---|---|
| Molecular Weight | 470.34 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.3396 |
| Heavy Atoms | 34 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 62393-88-8 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C(=O)O)C1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C |
| InChIKey | JGNPDWQZTUZFHK-QATAWRKHSA-N |
Product Overview
NCI60_002891 (CAS 62393-88-8), with molecular formula C30H46O4 and molecular weight 470.34 g/mol. IUPAC: (6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid.
Chemical Property Profile of NCI60_002891
Property Insights of NCI60_002891
The XLogP value of 8.0 indicates that NCI60_002891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_002891. Following Lipinski's Rule of Five, NCI60_002891 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_002891?
The CAS number of NCI60_002891 is 62393-88-8.
What is the molecular formula of NCI60_002891?
The molecular formula of NCI60_002891 is C30H46O4.
What is the molecular weight of NCI60_002891?
The molecular weight of NCI60_002891 is 470.34 g/mol.
Where can I buy NCI60_002891?
You can request a quote for NCI60_002891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002891?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.