脱水巴西木酸
TL;DR: 脱水巴西木酸 (CAS 29107-21-9) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱水巴西木酸
2-(7-methoxy-4-oxochromen-3-yl)acetic acid
Also Known As: ANHYDROBRAZILIC ACID, Spectrum2_000196, Spectrum3_000184, Spectrum4_001502, Spectrum5_000263
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.4287 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 626.31885 |
Chemical Identifiers
| CAS Number | 29107-21-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C(=CO2)CC(=O)O |
Product Overview
脱水巴西木酸 (CAS 29107-21-9), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 2-(7-methoxy-4-oxochromen-3-yl)acetic acid.
Chemical Property Profile of 脱水巴西木酸
Property Insights of 脱水巴西木酸
The XLogP value of 1.4287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 脱水巴西木酸. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 脱水巴西木酸. Following Lipinski's Rule of Five, 脱水巴西木酸 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 脱水巴西木酸?
The CAS number of 脱水巴西木酸 is 29107-21-9.
What is the molecular formula of 脱水巴西木酸?
The molecular formula of 脱水巴西木酸 is C12H10O5.
What is the molecular weight of 脱水巴西木酸?
The molecular weight of 脱水巴西木酸 is 234.05 g/mol.
Where can I buy 脱水巴西木酸?
You can request a quote for 脱水巴西木酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱水巴西木酸?
Yes, KEHONG BIO provides custom synthesis services for 脱水巴西木酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.