(1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride
TL;DR: (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride (CAS 98875-01-5) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5S,6R)-3-methylbicyclo[3.1.0]hex-2-ene-6-carbonyl chloride
Also Known As: (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride, (1R,5S,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carbonyl Chloride, (1S,5S,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carbonyl chloride, Bicyclo(3.1.0)hex-2-ene-6-carbonyl chloride, 3-methyl-, (1S-(1alpha,5alpha,6alpha))-, Bicyclo[3.1.0]hex-2-ene-6-carbonyl chloride, 3-methyl-, [1S-(1alpha,5alpha,6alpha)]- (9CI)
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 98875-01-5 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](C1)[C@H]2C(=O)Cl |
| InChIKey | MKFVRCBLWIBNLD-VQVTYTSYSA-N |
Product Overview
(1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride (CAS 98875-01-5), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: (1S,5S,6R)-3-methylbicyclo[3.1.0]hex-2-ene-6-carbonyl chloride.
Chemical Property Profile of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride
Property Insights of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride has 0 hydrogen bond donor(s) and 1 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 (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride?
The CAS number of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride is 98875-01-5.
What is the molecular formula of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride?
The molecular formula of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride is C8H9ClO.
What is the molecular weight of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride?
The molecular weight of (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride is 156.03 g/mol.
Where can I buy (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride?
You can request a quote for (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (1S,5S,6R)-3-Methylbicyclo(3.1.0)hex-3-ene-6-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.