Bharangin
TL;DR: Bharangin (CAS 94347-14-5) is a chemical compound with molecular formula C20H24O4 and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione
Also Known As: Bharangin, (3S)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione, Benzo(5,6)cyclohepta(1,2-b)pyran-2,9-dione, 3,4,11,11a-tetrahydro-10-hydroxy-4,4,11a-trimethyl-8-(1-methylethyl)-, (S)-, benzo(5,6)cyclohepta(1,2-b)pyran-2,9-dione, 3,4,11,11a-tetrahydro-10-hydroxy-4,4,11a-trimethyl-8-(1-methylethyl)-,(s)-, (11aS)-10-Hydroxy-4,4,11a-trimethyl-8-(propan-2-yl)-3,4,11,11a-tetrahydrobenzo[5,6]cyclohepta[1,2-b]pyran-2,9-dione
| Molecular Formula | C20H24O4 |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.16745 |
| Heavy Atoms | 24 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 94347-14-5 |
|---|---|
| SMILES | CC(C)C1=CC2=CC=C3[C@](CC2=C(C1=O)O)(OC(=O)CC3(C)C)C |
| InChIKey | HMJSIJZITOCLAD-FQEVSTJZSA-N |
Product Overview
Bharangin (CAS 94347-14-5), with molecular formula C20H24O4 and molecular weight 328.17 g/mol. IUPAC: (3S)-15-hydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraene-5,14-dione.
Chemical Property Profile of Bharangin
Property Insights of Bharangin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bharangin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bharangin. Following Lipinski's Rule of Five, Bharangin has 1 hydrogen bond donor(s) and 4 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 Bharangin?
The CAS number of Bharangin is 94347-14-5.
What is the molecular formula of Bharangin?
The molecular formula of Bharangin is C20H24O4.
What is the molecular weight of Bharangin?
The molecular weight of Bharangin is 328.17 g/mol.
Where can I buy Bharangin?
You can request a quote for Bharangin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bharangin?
Yes, KEHONG BIO provides custom synthesis services for Bharangin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.