气霉素
TL;DR: 气霉素 (CAS 28656-91-9) is a chemical compound with molecular formula C9H9Br2NO3 and molecular weight 336.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
气霉素
2-(3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)acetonitrile
Also Known As: aeroplysinin, Aeroplysinin I, (+)-Aeroplysinin-1, KST-1A4114, SMP2_000153
| Molecular Formula | C9H9Br2NO3 |
|---|---|
| Molecular Weight | 336.89 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.89288 |
| Heavy Atoms | 15 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 28656-91-9 |
|---|---|
| SMILES | COC1=C(C(C(C=C1Br)(CC#N)O)O)Br |
| InChIKey | BGYNLOSBKBOJJD-UHFFFAOYSA-N |
Product Overview
气霉素 (CAS 28656-91-9), with molecular formula C9H9Br2NO3 and molecular weight 336.89 g/mol. IUPAC: 2-(3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)acetonitrile.
Chemical Property Profile of 气霉素
Property Insights of 气霉素
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 气霉素. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 气霉素. Following Lipinski's Rule of Five, 气霉素 has 2 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 气霉素?
The CAS number of 气霉素 is 28656-91-9.
What is the molecular formula of 气霉素?
The molecular formula of 气霉素 is C9H9Br2NO3.
What is the molecular weight of 气霉素?
The molecular weight of 气霉素 is 336.89 g/mol.
Where can I buy 气霉素?
You can request a quote for 气霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 气霉素?
Yes, KEHONG BIO provides custom synthesis services for 气霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.