别赤霉酸
TL;DR: 别赤霉酸 (CAS 427-79-2) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
别赤霉酸
(1S,2R,9S,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylic acid
Also Known As: Allogibberic acid, BRD-K58279370-001-01-6, (4balpha,10beta)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10-carboxylic acid, (4balpha)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10beta-carboxylic acid, [(2S,3R)-3,5-dimethyl-3-vinyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 427-79-2 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@@]34CC(=C)[C@@](C3)(CC[C@@H]4C2=CC=C1)O)C(=O)O |
| InChIKey | IFYWTLQMNWNCFH-WCZJQEMASA-N |
Product Overview
别赤霉酸 (CAS 427-79-2), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (1S,2R,9S,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylic acid.
Chemical Property Profile of 别赤霉酸
Property Insights of 别赤霉酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 别赤霉酸. With a topological polar surface area (TPSA) of 57.5 Ų, 别赤霉酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 别赤霉酸 has 2 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 别赤霉酸?
The CAS number of 别赤霉酸 is 427-79-2.
What is the molecular formula of 别赤霉酸?
The molecular formula of 别赤霉酸 is C18H20O3.
What is the molecular weight of 别赤霉酸?
The molecular weight of 别赤霉酸 is 284.14 g/mol.
Where can I buy 别赤霉酸?
You can request a quote for 别赤霉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 别赤霉酸?
Yes, KEHONG BIO provides custom synthesis services for 别赤霉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.