2-chloro-1-iodo-5-hydroxymethylbenzene
TL;DR: 2-chloro-1-iodo-5-hydroxymethylbenzene (CAS 1138-14-3) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(methoxymethyl)-6,10-dimethyl-2-oxatricyclo[7.3.1.05,13]trideca-6,10-diene-3,12-dione
Also Known As: 2-chloro-1-iodo-5-hydroxymethylbenzene, 9b-(methoxymethyl)-4,7-dimethyl-3,3a,6,6a,9a,9b-hexahydrobenzo[de]chromene-2,9-dione, Naphtho(1,8-bc)pyran-2,7-dione, 3,3a,6,6a,9a,9b-hexahydro-9-methoxy-9b-(methoymethyl)-4,7-dimethyl-, (3aalpha,6abeta,9abeta,9balpha)-, Naphtho(1,8-bc)pyran-2,9-dione, 3,3a,6,6a,9a,9b-hexahydro-9b-(methoxymethyl)-4,7-dimethyl-, (3aalpha,6abeta,9aalpha,9balpha)-, 9b-(Methoxymethyl)-4,7-dimethyl-3,3a,6,6a,9a,9b-hexahydronaphtho[1,8-bc]pyran-2,9-dione
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 1138-14-3 |
|---|---|
| SMILES | CC1=CCC2C(=CC(=O)C3C2(C1CC(=O)O3)COC)C |
| InChIKey | ZFFOMBFFCNJDPX-UHFFFAOYSA-N |
Product Overview
2-chloro-1-iodo-5-hydroxymethylbenzene (CAS 1138-14-3), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 13-(methoxymethyl)-6,10-dimethyl-2-oxatricyclo[7.3.1.05,13]trideca-6,10-diene-3,12-dione.
Chemical Property Profile of 2-chloro-1-iodo-5-hydroxymethylbenzene
Property Insights of 2-chloro-1-iodo-5-hydroxymethylbenzene
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-iodo-5-hydroxymethylbenzene. With a topological polar surface area (TPSA) of 52.6 Ų, 2-chloro-1-iodo-5-hydroxymethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-iodo-5-hydroxymethylbenzene has 0 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 2-chloro-1-iodo-5-hydroxymethylbenzene?
The CAS number of 2-chloro-1-iodo-5-hydroxymethylbenzene is 1138-14-3.
What is the molecular formula of 2-chloro-1-iodo-5-hydroxymethylbenzene?
The molecular formula of 2-chloro-1-iodo-5-hydroxymethylbenzene is C16H20O4.
What is the molecular weight of 2-chloro-1-iodo-5-hydroxymethylbenzene?
The molecular weight of 2-chloro-1-iodo-5-hydroxymethylbenzene is 276.14 g/mol.
Where can I buy 2-chloro-1-iodo-5-hydroxymethylbenzene?
You can request a quote for 2-chloro-1-iodo-5-hydroxymethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1-iodo-5-hydroxymethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-iodo-5-hydroxymethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.